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Practical
Quantum Mechanics
Reprint of the 1994 Edition
Springer
Originally published as Vol. 177 and 178 of the
Grundlehren der mathematischen Wissenschaften
ISSN 1431-0821
ISBN-13: 978-3-540-65035-5 e-ISBN-13: 978-3-642-61995-3
DOl: 10.1007/978-3-642-61995-3
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Practical
Quantum Mechanics
With 78 Figures
Springer-Verlag
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Budapest
Prof. Dr. Siegfried Flugge
Fakultat fiir Physik der Universitat Freiburg i. Br.
This work was first published in 1947 in German under the title "Re-
chenmethoden der Quantentheorie". It was meant to serve a double
purpose: to help both, the student when first confronted with quantum
mechanics and the experimental scientist, who has never before used it
as a tool, to learn how to apply the general theory to practical problems
of atomic physics. Since that early date, many excellent books have been
written introducing into the general framework of the theory and thus
indispensable to a deeper understanding. It seems, however, that
the more practical side has been somewhat neglected, except, of course,
for the flood of special monographs going into broad detail on rather
restricted topics. In other words, an all-round introduction to the
practical use of quantum mechanics seems, so far, not to exist and may
still be helpful.
It was in the hope of filling this gap that the author has fallen in
with the publishers' wish to bring the earlier German editions up to
date and to make the work more useful to the worldwide community
of science students and scientists by writing the new edition in English.
From the beginning there could be no doubt that the work had to be
much enlarged. New approximation methods and other developments,
especially in the field of scattering, had to be added. It seemed necessary
to include relativistic quantum mechanics and to offer, at least, a glimpse
of radiation theory as an example of wave field quantization. The
choice of the problems, included in the old days in a somewhat happy-
go-lucky way, had now to be carefully reconsidered.
Thus a total of about twice as many problems as in the last German
edition has resulted. Not one of the original problems has been simply
translated; not more than about fifty have only undergone reshaping
from the earlier text; the bulk, however, is going to be presented here
for the first time. Nevertheless, the general character has remained the
same, with perhaps a slight tendency to arrive at even more applicable
results and numerical values at the end of each problem.
The more elementary problems, such as square-well potentials, have
not been omitted but somewhat abridged. The general introduction to
the German edition, some twenty o'dd pages surveying the basic equa-
VI Preface
tions and their meaning, has been discarded. Any student using the
problems will be sufficiently well acquainted with the general framework
to justify that omission. On the other hand, the extensive use of special
functions made throughout the work seemed to make a mathematical
appendix useful in which such formulae as occur in the problems have
been collected and, in part, derived.
With considerable hesitation but giving way to the publishers'
practical arguments the author has consented to having this edition
divided into two separate volumes, hoping that no serious damage has
thus been done to the intrinsic structure and continuity of the work.
To facilitate its use, the complete index for both parts has been printed
twice and will appear at the end of each volume. The numbers, there-
fore, refer to the problems in question, not to pages.
More than three years have elapsed, since this work appeared as a
two-volume cloth edition. Author and publisher have been much
gratified to learn how well it was received by scientists in many coun-
tries and how useful it proved to students of physics. To serve as a
regular supplement to text books, however, it was hampered by its
necessarily high price. Hence, the author has gratefully accepted the
publisher's suggestion of a much less expensive one-volume Springer
Study Edition; the more so, since it has always been -his wish, as al-
ready expressed in the former edition's preface, to see the total work
re-united in one volume. To save every conceivable additional cost, no
corrections or alterations have been made; an errata sheet listing
trivial errors, however, has been prepared, see p. XVI. Furthermore,
the original pagination has been kept unchanged which, we trust,
should cause very little inconvenience.
Author and publisher very much hope that a more widespread
distribution of the book will thereby result and that it will meet espe-
cially the needs of the student.
I. General Concepts
1. Law of probability conservation . . . 1
2. Variational principle of Schrodinger. . 2
3. Classical mechanics for space averages. 5
4. Classical laws for angular motion . 6
5. Energy conservation law. . . . . . . 8
6. Hermitian conjugate . . . . . . . . 9
7. Construction of an hermitian operator. 10
8. Derivatives of an operator. . . . . . 12
9. Time rate of an expectation value. . . 13
10. Schrodinger and Heisenberg representations 14
11. Time dependent hamiltonian . 17
12. Repeated measurement . . . . . 18
13. Curvilinear coordinates . . . . . 19
14. Momentum space wave functions. 20
15. Momentum space: Periodic and aperiodic wave functions 22
V. Non-Stationary Problems
179. Two-level system with time-independent perturbation 135
180. Periodic perturbation of two-level system 137
181. Dirac perturbation method 140
182. Periodic perturbation: Resonance. . 142
183. Golden Rule for scattering. . . . . 144
184. Born scattering in momentum space. 147
185. Coulomb excitation of an atom. 150
186. Photoeifect . . . . . . . . . . . 153
XIV Contents Volume II
Mathematical Appendix
Coordinate systems 257
r function . . . . 258
Bessel functions. . 260
Legendre functions 264
Spherical harmonics . 267
The hypergeometric series 271
The confluent series . . . 274
Some functions defined by integrals 276
h2 h2
1jI* HIjI-IjIHIjI* =- _(IjI*V 2 1j1_IjIV 2 1j1*) = - -div(IjI*VIjI-IjIVIjI*)
2m 2m
so that we may identify
h
s =-.(IjI*VIjI-IjIVIjI*). (1.6)
2ml
p= f ;i f
d 3 xg= d 3 x(IjI*VIjI-IjIVIjI*) ,
(1.9)
(2.1)
(2.3)
Now, the normalization integral (2.2) exists only if, at large distances r,
the solution t/I vanishes at least as
(2.5)
and therefore
(2.6)
4 General Concepts
Setting 1/1 A+~I/I into the energy integral (2.5), the energy becomes
EA+~EA with
Here the first-order changes stand in the first, and the second-order
changes in the second line. By partial integration in the sense opposite
to the one above we fall back, in the first line, on ~I/IV2I/1t and ~1/I*V21/1 ..
where (2.1) and (2.1 *) may be used to eliminate the derivatives. E.g. we
then have
so that with the help of Eq. (2.6), the first line of (2.7) may finally be
reduced to second-order contributions only:
f
~EA = I/l I c: c. d3 x {~VI/I:. VI/I.+(V - E..)1/1: I/I.}
2m
If EA is the ground state, we have E,.~EA for all states J,l, so that the sum
(2.11) is positive. The variational principle therefore makes E;. a mini-
mum. No such general rule can be established for excited states where
the sum (2.11) consists of positive and negative terms.
p=4 fd xt/!*Vt/!;
3 (3.2)
Our task then is to prove that (3.1) is valid for the integrals (3.2) and (3.3)
if t/! and t/!* satisfy the Schrodinger equations
--:- at/!=
1'1 - 1'12 2 t/! + Vt/!;
--V }
I at 2m
(3.4)
1'1 at/!* 1'12
+- -= --V t/!*+ Vt/!*.
2
i at 2m
where the surface contribution of the partial integration in the last term
vanishes and has been omitted. Replacing if,* and if, according to (3.4),
we may proceed to
6 General Concepts
p= -~fd3X(''V2r/1*'Vr/I+'V2r/1'Vr/I*)
2m
A partial integration,
shows that the two terms of the first integral cancel each other out. In
the other integral of Eq. (3.5) we perform a partial integration in the
last term,
Making use of
V(Vr/I) = VVr/I+r/lVV,
we finally arrive at
as was to be proved.
The wave functions, r/I and r/I*, are again supposed to satisfy the Schro-
dinger equations (3.4).
Problem 4. Classical laws for angular motion 7
ljI*vt/I = V(ljI*t/I)-t/lVljI*,
(4.4)
where we replace the time derivatives t/I* and t/I according to (3.4):
i = - ~
2m
f d 3 xr x (V 2 lj1*VljI + V 2 lj1VljI*)
and for f = VljI*ljI again the vector rule (4.4). Then the integral becomes
fmally
i.e. it becomes identical with the torque average (4.3), as was to be proved.
8 General Concepts
(5.2)
with
tl Z
W = -VIjI*VIjI+IjI* VIjI, (5.3)
2m
where the first term is the kinetic, the second the potential energy density.
According to Eq. (5.1) we need the derivative
Since
V"'*VIjI = V("'*VIjI)-"'*VzIjI
and
VIjI*V'" = V(",VIjI*)-",VzIjI*
we can reshape the kinetic energy part of (5.4) and write
W= V {~("'*VIjI+"'VIjI*)}
2m
- ~ "'*VzIjI - ~ "'VzIjI*
2m 2m
exactly cancel so that Eq. (5.5) indeed is of the form (5.1) to be proved with
tl z
S = - -(",*VIjI+",VIjI*) (5.6)
2m
the energy flux vector.
Problem 6. Hermitian conjugate 9
Breaking up
I/I=J+ig
into its real and imaginary parts, this leads to
f (J--g-
+h cPxx Og OJ) .
ax ax
The second integral is real. The first being purely imaginary must vanish
in order to satisfy (7.4). Since
JcPx(f2+ g2) = 1
this condition may be written
(7.6)
a = !+if3 (7.7)
where we have just shown the first part to have a real expectation value,
and where the second part will in consequence of the commutation
relation (7.1) become the real constant f3h, independent of the special
quantum state. This term therefore has no physical significance and
may be omitted.
b) Hermiticity of an operator may equally well be defined by the
relation
<uIQv) = <Qulv) (7.9a)
or, in more detail,
JcPxu*Qv = JcPx(Qu)*v (7.9b)
12 General Concepts
with two arbitrary functions u and v, both complex and only chosen so
f [ f [
that the integrals exist. With Q the operator (7.3) and oc real, this yields
Ii
---:- av a(x V)] =
J3xu* (l-oc)x-+oc-- Ii
----:-
au* a(xu*)] v
J3x (l-oc)x-+oc--
I ax ax I ax ax
fJ3xu*[x~: fJ3x[xaa~
or
+ocv]= - +ocu*]v.
Reordering leads on to
Let f(P,x) be an integer function ofthe operators Pk,Xk Then the general
relations
(8.1)
and
(8.2)
2. Let (8.1) and (8.2) hold for two functions f and g. Then they hold
as well for any linear combination clf + c2g with complex numbers c i
and c2 , in consequence of their linearity.
3. Withfand g, they hold for the productfg. For (8.1) this is easily
checked by direct computation:
o og of
-;- (fg)= f -;- + -;- g = - {f [g,Pk] + [f,Pk] g}
UX k UX k UX k
i
= - h {fgPk- fPkg+ fPkg-pdg} = -[jg,Pk]
In the first term of (9.4) we use the identity (cf. Eq. (6.1 b
<Dt/llq = <t/llat q
or
<H t/I IA t/I) = <t/I lIP A t/I) = <t/I IH A t/I) .
Eq. (9.4) then becomes
d i
dt <A) = h <t/lIH A-AHIt/I) (9.5)
or, briefly,
d
- <A) = <[H,A]). (9.6)
dt
Applying (9.6) to the special operators A=x" and A=p" and using
Eqs. (8.1) and (8.2), we find the canonical equations of classical mechanics
to hold for the expectation values:
(9.7)
(10.1)
with H(p",q,,) the hamiltonian of the system. Let H not depend explicitly
upon time. It shall then be shown that a "rotating" Hilbert coordinate
system with the state vector t/I at rest (Heisenberg representation) follows
by an unitary transformation U(t) and that the operators PIc' q" in that
frame depend on time according to the canonical equations
oH (10.2)
A=--;
oq"
Solution. Let all time-independent operators be denoted by a super-
script 0 and let the time, when by "rotation" of the Heisenberg frame the
coordinate systems begin to differ, be denoted by t = O. Then any Heisen-
berg operator D(t) coincides with its Schrodinger form at t=O, .0(0)= D.
Problem 10. Schriidinger and Heisenberg representations 15
The state vectors in the Schrodinger frame, I/I(t), and in the Heisen-
berg frame, 1/10, then are connected by the relation
(10.4)
then cause U to be a unitary operator satisfying
U t U=1. (10.5)
This can easily be seen:
and that equals <1/111/1) if, and only if, (10.5) is satisfied.
The operator U may be determined by putting (10.3) into (10.l),
h .
- - U=HoU (10.6)
i
where we have now cautiously written HO instead of H, because in the
Schrodinger frame an operator not depending upon time is used in (10.1).
This differential equation, with the initial condition U(O) = 1, is solved by
(10.7)
(10.8)
This equation is obviously satisfied for, and only for,
Q(t) = ut(t)Qo U(t) (10.9)
because
(10.10)
(10.11)
(10.14)
NB. The hamiltonian H as well as the operators (J have been supposed not to
depend upon time in the Schrodinger frame. If they do, additional partial derivatives
with respect to time will occur. The whole formalism then will become more involved,
e.g. U(t) will no longer be a simple exponential because in the power expansion H
will occur at different times.
Problem 11. Time dependent hamiltonian 17
J
U(t)= 1 +" dt' H(t')+ ,,2 Jdt' H(t') Jdt" H(t")
o 0 0
I' In
U(t)= "H(t)+ ,,2 H(t) Jdt" H(t") + ,,3 H(t) Jdt" H(t") Jdt lll
H(t lll
)
o 0 0
o 0 0
= "H(t) U(t).
It should be noted that, in the integrals, t> t' > t" > ... > 0 so that the
factors H, taken at different times, form a time-ordered product with the
later factor always standing in front of the earlier one.
18 General Concepls
it becomes
(vIAlv) = I (vln') (n'IAln) (nlv).
nn'
With
(n'IAln) = anhnn'
this simplifies to
(vIAlv)= Ian l(vln)12. (12.3)
n
The probability of finding the value a", as the result of the first measure-
ment therefore is
(12.4)
Afterwards, the system is no longer in the initial state Iv), but in the
state 1m). Its further development follows from the SchrOdinger equation
a (12.5)
ih at It)=Hlt),
where It) denotes the state vector at the time t, with the initial condition
IO)=lm).
Since H does not depend on time, this leads to th~ solution
(12.6)
Problem 13. Curvilinear coordinates 19
it leads on to
It) = Ie-iw"tI Jl ) <Jllm). (12.7)
/l
Using now the same consideration that led us to Eq. (12.4) we find that
the probability again to measure am at the time t is
(13.1)
where mil has the same value for groups of three terms belonging to
one particle. The expression (13.1) is the quantum theoretical translation
of the classical expression
(13.2)
~/l=vm:x/l' (13.3)
then
Telass
1 " '2
= "2 L. ~/l' (13.4)
/l
Replacing now in ~ space with the line element
ds 2 = Id~; (13.5)
/l
20 General Concepts
the ~,;s by general coordinates, q", with the line element transforming
into
(13.6)
we find
(13.7)
(13.8)
~~ 0(11: 0)
2
V = Vu1 71"oqi V gg
il
ot
(13.9)
where 9 is the determinant of the metrical tensor gil' the gil being its
contravariant components to be obtained from
ik Gil
g=- (13.10)
9
with Gil the minor of gil in the determinant g. Eq. (13.9) gives the solution
of our problem, the kinetic energy operator corresponding to the
classical expression (13.7) becoming
(13.11)
The Fourier transform f(k) of the wave function I/!(r) describes the
momentum distribution in a quantum state. An integral equation shall
be derived for f(k) in which the Fourier transform of the potential
plays the role of kernel.
Problem 14. Momentum space wave functions 21
Solution. Between l/J(r) and f(k) there hold the two reciprocal
relations l
J
l/J(r) = (2n)-t d3 ke ik-r f(k); (14.1)
f(k) = (2n)-t Jd xe- k-rl/J(r).
3 i (14.2)
(2n)-t{;:f d3 ke ik r p f(k)
+ f f
d3 k d3 k' ei(k+k')'r W(k)f(k')
f
-E d3 ke ik-rf(k)} =0 .
In the double integral let us then use k" = k + k' instead of k as integration
variable (and then again write k instead of k"). Then, as the integral will
only vanish for any value of r if the integrand vanishes, we arrive at
(14.6)
This is the integral equation wanted, with W(k - k') as its kerne1.
The integral equation (14.6) can, of course, be established only if the
Fourier transform (14.4) of the potential exists, i.e. if V(r) at large values
of r vanishes at least as r - 1 - . with infinitesimal e > O.
1 If (14.1) is used to define f(k), application of Jd3 xe- i k-r to (14.1) and use of
the definition of the three-dimensional b-function,
(14.7)
there follows
Jd3klf(kW = 1. (14.8)
of each vector k. This means that in k space, for large L, a volume element
d3 k includes
(15.3)
where the last integral vanishes if k' '" k and becomes = L3 if k' = k:
(Ll)
J d3xlt/l12= Llc l
Ic
lc 2 (15.4)
(15.5)
L!
t/I(r,t) = (2n)3 f d 3kc(k,t)e i(Ic.r-wl). (15.6)
3
f d XIt/l12 = -1-fd3kfd3k'f*(k)f(k')ei(W-W')tfd3xei(Ic'-Ic).r (15.9)
(2n)3
where the last integral runs over infinite space and can be evaluated:
J
d 3xe i(Ic'-Ic)'r =(2n)3 b(k' - k), (15.10)
so that we find for (15.9):
Jd3xlt/l12 = Jd3klf(k,t)1 2 (15.11)
which, by the way, is simply the same as translating the sum (15.4) with
(15.7), according to the rule (15.5). Hence, the probability that a particle
found anywhere has its momentum k within the element d3 k becomes
(15.12)
24 General Concepts
A. One-Dimensional Problems
h 2 2 h 01/1
- -v ./,+ V(x t)/, =
2m 'I' ,'I'
-- -
i at' (A.i)
(A.2)
~ ~qJ ~ h oqJ
+ -(ki+k~)qJ+ V(x,t)qJ= - -;- -
- -
2m ox
-2
2m I at
may be further simplified by putting
- -
h2 02U
--2 + V(x,t)u= - -
h au
-. (A.4)
2m ox i at
The exponential factors in (A.2) and (A.3) describe plane-wave qualities
in the directions perpendicular to the x-axis which, however, do not
affect the behaviour of the wave function in x-direction.
26 One-Body Problems without Spin. One-Dimensional Problems
permits factorization,
t/!(x, t) = u(x)g(t) , (16.2)
because by putting (16.2) in (16.1) one arrives at
h 2 u" h g
- - - = - - -=hw (16.3)
2m u i g ,
1 In the following we shall write '" again for the one-dimensional part of the
wave function satisfying Eq. (AA), and u for its space part.
Problem 16. Force-free case: Basic solutions 27
(16.7)
IS
2 2mw
E=lIw,' k = --' (16.11)
II '
28 One-Body Problems without Spin. One-Dimensional Problems
Elimination of w yields
(16.12)
so that
p=hk (16.13)
is the momentum, and
hk
V=- (16.14)
m
the classical velocity of the particle. The latter is by no means identical
with the phase velocity of the wave,
wEI
Vpb = p
k = = "2 v ;
it is, however, identical with the group velocity
dw dE
Vgr = - = - = v.
dk dp
NB. The fundamental differential equation (16.1) may be interpreted as a
diffusion equation with an imaginary constant of diffusion, D:
a2 1/! aI/!
Dax 2 =at;
."
D=1 2m
Whereas factorization plays rather an important role in quantum theory but not
in diffusion problems, the typical source-type solutions of (real) diffusion theory,
I/!(x,t) =
1
Vt
+co
rj dU(e)e'2fI-,-
.m (,,-()'
-co
localizes the particle within Ixl;:Sa, and the flux (16.10) becomes
s(x,0)=-2 o
h
h .2ik lAl 2 exp -2" =p-k
o
[X2]
ml a m
J dxp = 1
-00
holds, i. e.
(17.5)
f
+ <Xl
C(k) = 2~ dxl/l(x,O)e- ib
-<Xl
~f
+ <Xl
The result,
(17.8)
LlxLlp=h, (17.9)
d=a [ 1+ ( -ht-
ma 2
)2] h
2~_t
ma
. x
1 +l---Z-k .
a 0
ht t/J;
1 + i -2
ma
straightforward calculation yields by comparison with (17.11):
htx
1+~k
s(x,t) = p(x, t) Vo
ma 0
(ht )2. (17.12)
1+ -
ma 2
It follows that we by no means have s = p Vo for all times, as we had
for t=O. This again is a consequence of the finite width of the velocity
spectrum: At the packet maximum, xo=vot, Eq. (17.12) leads to the
32 One-Body Problems without Spin. One-Dimensional Problems
for stationary states. The space function u(x) satisfies the SchrOdinger
equation
(18.2)
with
(18.3)
The value k=O, also satisfying (18.7), can be excluded since it con-
tradicts the normalization condition (18.6). The eigenvalues ofthe energy
follow from (18.3) and (18.8):
(18.9)
-()
U"x =a -t
sm k"x=a -t sin
. 1I:nx
2a' 2 4,... (18. lOb)
n=,
Since u'" apart from an irrelevant sign in (18.lOb), does not depend upon
the sign of n, we can ignore negative values of n so that e.g. the four
lowest states become
n=l,
1i2 11: 2
E 1 =--,
t 11: X
ui=a- cos-,
8ma 2 2a
n=2, E2 =4E 1 , U2
- =a -t.sm-,
1I:X
a
311:x (18.11)
n=3, E3 =9E 1 , uj =a- t cos--,
2a
211: X
n=4, E4= 16E 1 , u4" =a- t sin - - .
a
34 One-Body Problems without Spin. One-Dimensional Problems
Since the space part of the eigenfunctions is real, there can exist no
resulting flux in any state. This is a consequence of IAI = IBI in Eq. (18.4),
cf. the discussion in Problem 16: The A wave and B wave in (18.4) con-
tribute opposite currents and momenta. The eigenfunctions of the
hamiltonian belonging to sharp energy values therefore are not eigen-
functions of the momentum operator
h a
p=--.
i ax
Indeed, differentiation of the functions (18.lOa, b) does not reproduce
them but exchanges cosine with sine solutions. The expectation value,
however, of the momentum can be computed according to
+a
-a
Since the integrand is an odd function of x, this integral vanishes for all
states: <nlpln) =0, in accordance with the vanishing flux.
Problem 19. Opaque division wall 35
NB. The mathematical problem is very much the sa~ as the classical one
of the vibrating string, the only difference being that here eigenvalues of the
energy and there eigenvalues of the frequency follow the quadratic law (18.9).
The classical vibration energy has no analogue, however, in the quantum me-
chanical problem since it derives from the possible excitation of the string vibra-
tion to arbitrary amplitudes, whereas the amplitudes of our wave functions are
fixed by the normalization condition (18.61 i. e. by the fact that the particle
number is one.
~--~~--~~x
-a 0 +a
Solution. The opaque wall dividing the whole region into two equal
parts may be obtained by idealization of a barrier of finite width 28
(between X= -8 and X= +8) and height Yo. We introduce the abbrevi-
ations
(19.1)
I
u(a)=O. Satisfying the latter two and writing the solution in real form,
we have
Al sin k(x+a) -a~x~ -8,
u= 1Be-xx+Cexx -8~X~+8, (19.2)
A2 sin k(x - a) +8~X~ +a.
36 One-Body Problems without Spin. One-Dimensional Problems
The identity of the two left-hand sides leads to equality of the right-
hand sides. These become equal if, and only if, B = C. If B = + C,
it follows from (19.3 a, c) that Ai = - A2 and we obtain a solution of
even parity; if B = - C, we find Ai = A2 and have odd parity. Hence
again, as in the preceding problem, the eigenstates divide into two classes
of different parities.
We now go to the limit 6--+0, x--+ 00 in such a way that X6=0 but
(19.5)
remains finite. We shall then call 0 the opacity of the wall since the larger
0, the more opaque it becomes. For even parity (B=C) Eq. (19.4) then
leads by power expansion on the right-hand side to
k cot ka= -0. (19.6+)
For odd parity (B= -C) we find in the same manner
k cot ka--+ - 00 .
The second case is simplest. The eigenfunction has a zero at the wall,
and the solution becomes
+ {-Asink:(x+a), -a~x<O,
Un (X)= .
+A sm k:(x-a), O<X~ +a,
(n-!)n<k: a<nn; n= 1, 2, 3, ... ;
16 5 - - - - - - - - - - - - - -
15
14 5 + - - - - - -
13 4 - - - - - - - - - - - - - -
12
"
4+------
lIa 10
3---- ---- ---- - - - - - - - -
9
8
7
6 2 - - - - - - ---- - - -
5
4
3 r - - - - - - - ---- ---- - -
, ,+--
2 Fig. 3. Level positions
for different values of wall
0 L....---J L.....--...J L......-.....J L--...J L--...J
o ,
~
VNua=o
~{la='
~{la=2
~U.=4
~Rr"
~Q=W
-a o +a
x-
The potential wall ofthe preceding problem may equally well be described
by a Dirac <5 function according to
tl 2
V(x) = - o <5 (x) . (20.1)
m
This shall be shown, and the boundary condition at the wall discussed.
Solution. The Schrodinger equation
u" + [P-20<5(x)]u=0 (20.2)
shall be solved. First of all, we state that the differential equation (20.2)
as well as the boundary conditions u(a)=O are invariant with respect
to the parity transformation x-+ - x. The problem defined by both
differential equation and boundary conditions can therefore be solved
only by functions which are eigenfunctions of the parity operator
(exchanging x with -x) as well. This can be seen as follows: any function
u(x) may be decomposed into an even part f(x) = f( - x) and an odd
part g(x) = - g( - x) so that
u(x)=Af(x)+Bg(x); u( -x)=Af(x)-Bg(x).
If u(x) is a solution of our problem, so is u( - x), and as there is no degener-
acy involved, the solution is unambiguous save for a constant factor,
sayoc. Hence,
u( -x)=ocu(x)
or
Af(x)-Bg(x)=oc[Af(x) + Bg(x)] .
Since f and g are linearly independent this holds if, and only if, A = oc A
and B= -ocB, i.e. either if oc= 1, B=O so that u(x) is of even parity,
or if A = 0, oc= -1 so that u(x) is of odd parity.
We now consider the neighbourhood of the potential wall. Inte-
gration of Eq. (20.2) across the wall, u being continuous, yields
u'( +O)-u'( -0)=20u(0) , (20.3)
i. e. the logarithmic derivative
u'(x)
L(x)=- (20.4)
u(x)
is discontinuous with a jump of 20 at the wall:
L( +O)-L( -0)=20. (20.5)
40 One-Body Problems without Spin. One-Dimensional Problems
where A and B are different constants for x<O and x>O which can
be adjusted to make (21.2) satisfy the boundary conditions. These
lead to the more special form
eikx+Be- ikx for x<O,
u(x) = { . (21.3)
(1 +F)e ik% for x>O
if the amplitude of the incident particle current is normalized to 1.
Then B is the backward, and F the forward scattering amplitude.
According to (20.3), the behaviour of u(x) at x=O is determined by
u( +0) = u( -0) and u'( +O)-u'( -0) = 20u(0). (21.4)
These relations yield B = F and
ik(l + F)-ik(l- B) = 20(1 +B)
so that finally
B=F=~
ik-O
(21.5)
u~(O) = 0
and
u~(O) =1
in an arbitrary normalization of these two basic solutions. Thus we
can compute their logarithmic derivatives at x = a which we shall
write for convenience in a dimensionless form
au~(a)/u_(a) = L (22.3)
-oo<x~-a,)
-a~x~ +a, (22.4)
+a~x< +00.
Problem 22. Scattering at a symmetric potential barrier 43
The sum of (22.5a) and (22.5c) gives 2CI u+(a) and the difference of
(22.5b) and (22.5d) 2CI u~(a). The ratio of both is
. _e- ika +(1 + F + B)e ika
L+ = zka e ika+(1 +F +B)eika (22.6 a)
derivatives (22.3) at x = a of the even and the odd parity wave functions.
This cannot, of course, be accomplished as long as no special form of the
potential (22.l) has been introduced.
In contradistinction to Problem 21, we no longer have B = F.
Forward scattering prevails if
qIL+-L_I>1 ~L_ +q21,
backward scattering in the opposite case.
f
+a
4xa=2 dx V~~(V-E)
will be generalized to this integral form for any potential V(x), below (cf. Prob-
lem 116).
If, on the other hand, the kinetic energy exceeds the height ofthe barrier,
the quantity", defmed by (23.3) becomes imaginary. With the abbreviation
(23.9)
we may then write, instead of (23.6),
1
(23.10)
T = 1+ (2)2
~ sin2 2Ka
2kK
Though in classical mechanics there should be T = 1 and R =0 at
these energies, the transparency following from (23.10) shows maxima
of T = 1 only at 2 K a = n n (n = 1,2,3, ...). Between these there are minima
in the neighbourhood of 2K a=(n+t)n which lie the closer to T= 1 the
smaller the factor in front of the sine in (23.10), i.e. the higher the energy
above threshold.
The general behaviour of T as a function of the energy (in units of the
threshold height, say, U) is shown in Fig. 5 where T has been drawn
as a function of E/U for the example 2koa=3n. The wave function has
been explained in Fig. 6 where lul 2 has been drawn vs. x. On the right-
hand side of the barrier we simply have lu1 2=11 +FI2, i.e. constant,
46 One-Body Problems without Spin. One-Dimensional Problems
whereas on its left there is interference of the incident with the reflected
wave. Fig. 6 shows this feature for P = x 2 =tk~ and different widths of
the barrier. The broader the latter, the smaller is the intensity transmitted
and the more pronounced the interference phenomena become.
1.0
t
T
0.5
1.5 2{)
E/U-
a=O
f\/1t------1
a=0.5
M a=1
Nil
a=5
Fig. 6. Probability density lul 2 in the current falling upon the barrier from the
left, in the case E < U. The two vertical lines mark the width a of the barrier.
The waves on the left are.caused by interference between incident and reflected beams
Problem 24. Inversion of reflection 47
2 We write", for the space part of the wave function in this problem since u
is used in another sense.
48 One-Body Problems without Spin. One-Dimensional Problems
IRI 2 -_ (Poa-PaO)2+(q-r)2
2 2 (24.8)
(POa+PaO) +(q+r)
Now take the opposite case with the wave incident from the right-
hand side. The wave function (24.2) has then to be replaced by
~ ={~:~x7~jjV~X): o<::~:}
e-ik(x-a)+Re,k(x-a), a<x.
(24.9)
(25.2)
odd:
O::s;x::S;a,
x>a,
*
u_( -x) = -u_(x), (25.30)
Here the amplitudes inside and outside the potential hole have been
adjusted to make u(a) continuous. The normalization constants have
been calculated from the condition
+00
J dxlul 2 = 1.
-00
odd: (25.70)
5
4
3
2
o~~~~--~~~~--~~~~~
-1
-2
-3
-4
Fig. 7. Graphical solution of Eqs. (25.7e, 0). The line tanka intersects the curves
which represent the right-hand sides for different-values of the size parameter C.
Curves at positive ordinates for even, at negative ones for odd parity
Problem 25. Rectangular potential hole 51
the last two with the tangent line. These curves, of course, still depend
on the size parameter C. Starting with C= 1, e. g., we have the inter-
section denoted by 0( in the even, and no intersection at all in the odd
case. A hole of this size therefore contains no more than one eigenstate
with even parity. In Fig. 8a the hole has been drawn with its eigen-
l::::::::P
a
=1
Y=2.2Sb
f
e
Fig. 8 a-f. Energy levels in potential holes of different sizes determined by the
size parameter C. Full lines even, broken lines odd parity
-/I +/1
Fig. 9. Energy levels and eigenfunctions for C=5. Full lines even, broken lines
odd parity
so that there remains a finite probability that it will stay outside. For any
interval outside, this probability decreases exponentially as e- 2x <i x l- a )
with increasing distance Ixl-a from the hole.
A+ coskx, O:s;x:s;a,
u+ = { coska
A+ . h (I ) sinhx(l-x), a<x:s;/,
sm x -a
A_ sinkx, O:s;x:s;a,
{
u_ = A_ . sinka. h (1)
h (I )sm x -x, a<x~,
1
sm x -a
2 1. sin 2kaf x(l-a) ]
l/A_ = k [ka-smka coska] + - x - Lcothx(l-a) - sinh2x(l-a) .
(26.10)
-/ -a
k
odd parity: tanka = - -tanhx(l-a) (26.20)
x
54 One-Body Problems without Spin. One-Dimensional Problems
sinhx(l-x) = e,,(a-x)
sinhx(l-a)
A+ coskx, O::;x::;a,
{
u+ = A + coska. sm K(l)
- x , a < x::; 1,
sinK(l-a)
A_ sinkx, O::;x::;a,
u_ = { sinka.
A_. (l ) smK(l-x), a<x::;l,
smK -a
1. sin 2 ka [ K(l-a) ]
l/A: = -k [ka-smka coska] - - - cotK(l-a) - . 2 (I ).
K sm K -a
(26.40)
Problem 26. Rectangular potential hole between two walls 55
k
odd parity: tanka = - K tanK(l-a). (26.50)
If ,~ 00, the second term will grow beyond all limits so that
u = ~ sinK(l-x). (26.8)
Here, I still enters the phase of the wave functions from which it can
be eliminated by again using the eigenvalue conditions (26.5e, 0):
tanKa - k tanka
K )
odd: Kl=tan- 1 ( K . (26.90)
1 +ktankatanKa
56 One-Body Problems without Spin. One Dimensional Problems
even odd
I I
t 0.9 (\
I
~
K_
"x:
,/
>< ::::::::-
2 0 .8
A I
0.7 /
0.6 /
0.5 0 /
10 20 30 40 50 60 70
(Ka/~
T2
k
V~----~--~,-- ___ X
o a
(27.4')
58 One-Body Problems without Spin. One Dimensional Problems
O(I/A2)] Q Q2
[ =2- cos2ka+22' sin2ka=O
o(2ka) fllk k k
leads to
k
tan2ka= (27.5)
Q
I/A;=1 + 2
VI +e;
+ ~(1 +
e;
1 ).
VI +e;
(27.8 b)
and
2 4 1 2 40 2
I/An =2+2--en~ - 2 for n=I,3,5, ... , (27.9 b)
en 4 kn
neglecting terms of the order e! throughout.
For even n, i.e. for ka being close to an integer mUltiple of n, we
therefore obtain a maximum amplitude
20
An.max = k ~ 1, (27.10)
n
(27.11)
Only around the energy values leading to (27.10) therefol'e there will
exist appreciable coupling so that the outside wave function penetrates
the barrier. In classical terms, this means the existence of resonance
frequencies at which the cavity can be excited to eigenvibrations from
outside.
These resonances occur, according to efl.7), if kna deviates only a
little from n n with integer n, i. e. for such values of k that the wave function
inside the cavity as given by (27.1) lies quite close to
nnx
un(x)=Asin-- with un(a)=O,
a
the eigenfunction for an impenetrable wall (0-+ 00). Hence, the resonance
levels lie close to the energy eigenvalues of the cavity for 0-+ 00. They
therefore are called virtual levels of the system.
For the numerical example Oa= 50n= 157.08, the amplitude A
between 2ka= 19n and 2ka=21n is shown in Fig. 13. In this case,
k/2 O~ 0.1 and it can easily be seen that A is generally of this order,
except in a very narrow region a little below 2ka=20n, where it has a
typical resonance. Series expansion of 1/A 2 around the resonance energy
defined by
k
2k o a=2nn-tan- 1 -
o
yields approximately
2 4
21 = -k2 [14
+ -04 (2ka-2k o a)2] (27.12)
A 40 k
60 One-Body Problems without Spin. One Dimensional Problems
(27.13)
10
does this approximation no longer apply. There are two types of solution
to (27.15), viz. where 2ka is either a little larger than (2n+ 1)n, or a little
smaller than 2nn. In the first case, the numerator 1-cos2ka is close
to 2 and about constant. Then, tan ~ runs through a singularity or ~
becomes an half-integer multiple of n, say, n/2. The phase curve has a
steady slope and shows no very peculiar behaviour in this region. If,
on the other hand, 2ka lies in the neighbourhood of2nn, the numerator
has a zero quite close to, but not coincident with, the zero of the denomin-
ator defined by (27.15) so that tan~, Eq. (27.14), passes infinity, i.e. phase
angle n/2, and zero, i. e. phase angle n, within an extremely short interval
of 2ka. As we have seen above, resonances will occur in the regions
close to 2ka=2nn and it is quite usual for vibrating systems to exhibit
a phase jump of about n when passing through resonance.
n.-------.------.~------._----__.
3n~------r_----_++_----~~~--~
"4
K
4~----~~~---r+-------+-------~
General conditions shall be derived for the wave functions and for the
determination of the energy spectrum in a periodic potential.
Solution. If V(x) is a periodic potential with period a, the Schrodinger
equation is invariant with respect to all translations by integer multiples
of a:
V(x+a)= V(x); x-+x+na, n=O, 1, 2, ... (28.1)
Let us denote two linearly independent solutions of the Schrodinger
equation by u1(x) and U2(X), then ul(x+a) and u2(x+a) must also be
solutions. Since any solution may be represented as a linear combination
ofu1(x) and U2(X), this must also hold for ul(x+a) and U2(x + a), i.e.
u1(x+a) = Cll Ul(X)+C 12 u2(x), }
(28.2)
u2(x+a) = C21 U1 (x)+ C22 U2(X).
It now can be proved (Floquet's theorem) that among these solutions
there are two, say "'land "'2' with the property
"'(x + a) = A"'(x) (28.3)
with the argument x - a falling into the first interval. At the juncture
x=a the expressions (28.4) and (28.13) must coincide, and so must their
derivatives, i. e., there will hold the two equations
This homogeneous system for A and B can be solved if, and only if,
its determinant vanishes:
(28.15)
into (28.15); a simple calculation shows that the same expression results in the
v's as in the u's if the determinant of the Cit does not vanish.
u(a+O) = u(a-O), }
(29.5)
u'(a+O) = u'(a-0)+2Uu(a)
so that
(29.6 a)
and
30
15
o 1 5 10 15
ka----
t6
(~t
4
o 2sr 31t
Ka--
Fig. 17. Energy as a function of Ka for the first three bands (one-dimensional
Brillouin zones). Broken line: Parabola of free particle energies
Problem 29. Dirac comb 67
and in Fig. 18 reduced to the interval -1I:~Ka~ +11:. The broken line
in Fig. 17 is the parabola K = k which passes the upper band limits.
Since all figures have been drawn for the example Qa=4, they do
not show the effect of wall opacity on the energy spectrum. For smaller
values of Qa, the right-hand side of (29.9) would shift closer to 1 so
that the corresponding curve in Fig. 15 would intersect the cosine line
much nearer its maxima. This means, of course, that the forbidden
zones become narrower. Since the upper band limits of the allowed
bands at ka=n1l: are independent of Qa, it is only the lower band
limits which move downward in Fig. 16 with decreasing Qa. If Qa=O,
the forbidden zones vanish, but so does the Dirac comb potential and
we arrive at the force-free case with its unbroken continuous spectrum.
o +1t
Ka-
If, on the other hand, Qa-HX), the allowed bands degenerate to discrete
levels at ka=n1l:. The walls then entirely separate each potential hole
between two walls from its neighbours thus reducing the spectrum to
that of Problem 18 (with wall width here a instead of 2a in Problem 18).
Literature. Kronig, R. de L., Penney, W.: Proc. Roy. Soc., London, 130, 499
(1931).
68 One-Body Problems without Spin. One-Dimensional Problems
(30.9)
-00
Problem 30. Harmonic oscillator 69
u1=C1xe-t.u1 ,
"2 = C2(1-2A.x2)e-tAxl,
(30.10)
U 3 =C3(x-fAx3)e-tAxl,
c3=V31; W;
c4 =
The eigenfunctions have been shown in Fig. 19.
Fig. 19. Harmonic oscillator eigenfunctions, drawn over the potential and its
energy levels
It will be seen that the eigenfunctions have either even or odd parity.
This follows from the symmetry of the potential, V( -x)= V(x), that
makes u,,( - x) a solution of the differential equation together with
",,(x) to the same eigenvalue (30.8). As there is no degeneracy, the two
solutions can differ only by a factor I fixed by the normalization to
1112 = 1. Since by twice reflecting the coordinate x at the origin we are
70 One-Body Problems without Spin. One-Dimensional Problems
or by
(30.18)
(30.19)
C; J d~e-~2[HnWJ2=VI
-00
-00
-00
(31.14)
and from (31.11)
(31.15)
All other matrix elements vanish in consequence of the orthogonality
of the I"'. ).
The latter can easily be checked:
r~ ~ ~ ~ ~
so that either n=m or ("'ml"'n) =0. The matrices (31.14) and (31.15)
can be written as follows:
0 0 o ...
0 0 o ... 0 0 0 .. )
b= 0 Vi 0 0 ... (31.16)
0 0 V3 0 ... b' ..... .. ... ..::
...........................
Literature. Becker, R., Leibfried, 0.: Z. Physik 125, 347 (1949).
1= V It
mw
(32.2)
(32.4)
Thus we find
(32.6)
The complete sequence of eigenfunctions then may be constructed
by applying bt :
1/1,,+1 = V2(n+1)
i (d )
- de + e 1/1".
(32.7)
i
Cn + 1 = Cn , (32.10)
V2(n+l)
then (32.9) becomes simply the recurrence relation of the Hermite poly-
nomials,
viz.
Comparison with (30.19) shows that, apart from the factor i, Eq. (32.10)
is satisfied by the normalization factor derived there:
1 l~}!.
cn = { 2"n! V; WIth ).=1/1 .
2
The factor i is, of course, quite arbitrary since the norm leaves a phase
factor undetermined in each eigenfunction.
1
H=_p2+ Mw 2
__ X2 (33.1)
2M 2
(33.4)
These two homogeneous equations for Xmn and Pmn are compatible
only if both matrix elements vanish, or if the determinant vanishes,
i. e. if
(33.5)
(P2)nk = Pn,n+lPn+1,k+Pn,n-lPn-l,k
with only for k = n, n + 2, n - 2 not vanishing. The same holds for the
matrix elements of X2. Putting this into (33.2), we obtain the off-diagonal
elements of the hamiltonian,
1 M w2
Hn,n+2 = 2MPn,n+lPn+l,n+2 + -2- Xn,n+l X n+l,n+2
78 One-Body Problems without Spin. One-Dimensional Problems
and the same holds for the matrix elements H","-2' in perfect agreement
with the diagonality of H underlying Eq. (33.4). The remaining diagonal
elements become
1
E" = 2M (P"L" + lP"+l,,,+P,,,,,-l P"-l,,,)
M w2
+ -2- (X",,,+l X"+l,,, + X",,,-l X,,-l,"),
where according to (33.7) both lines are equal thus yielding
E" = M W2(X","+l X"+l,,, + X",,,-l X,,-l"'}' (33.8)
Eqs. (33.8) and (33.6) give a relation between the matrix elements of x.
Another relation follows from the fact that x is a hermitian operator:
X.. l, .. = X:, .. l (33.9)
so that we get
liw(n +e) = M w 2(1x","+l12 + Ix.. _l,,,1 2). (33.10)
Using the abbreviation
Mw 2
-1i-lx.. -l,,,1 = f(n) (33.11)
X.., .. +l = V 2; w (n + e+ D (33.13)
(33.14)
must be zero. Were it not so, Eq. (33.10) might be used as a recurrence to
compute X"-l,,, values down to n= - 00, in contradiction to n+e>O.
The relation (33.14) determines
e=t (33.15)
Problem 34. Momentum space wave functions of oscillator 79
this is clearly a case where the Fourier transform of V does not exist,
so that we cannot use the integral equation (14.6). Instead we fall back
upon the definitions
+00
u(x) = (21t)-t J
dke ikx f(k); (34.2)
-00
+00
d 2 u +V
dx 2
2m[E -mw
-
2
2-x u=O
2 J (34.4)
we obtain by differentiations
-00
f
+00
(21t)-t dke ib {-k 2 f(k) + 2;2E f(k) + (mhwr f"(k)} =0. (34.5)
-00
80 One-Body Problems without Spin. One-Dimensional Problems
J dxlu(xW = 1
-00
there follows
+00
J dklf(k)12 = 1,
-00
1
V(x)=2'mm 2 x 2 +61 (X)3
T +62
(X)4
T ; 1= Vh/mm (35.1)
J dX(81 e3 + 8 2e
+00
L1(1)En = 82 J dee4[u~(e)J2
-00
n+l)32;
(nle 3 In+l)=3 ( -2- 2"
(nle 3 In-l)=3 (n)32;
(35.10)
(nle 3 In+3) = {i(n+3)(n+2)(n+l)}t;
(nl e 3 In-3) = {in(n-l)(n-2)}t
and
(nle 4 In+2) = V(n+2)(n+l)(n+i);
(nle 4 In-2) = Vn(n-l)(n-!);
(35.11)
(nle4 In+4) =! V(n+4)(n+3) (n+2) (n+ 1);
(nl e4 In-4) =! Vn(n-l)(n-2)(n-3).
With these matrix elements, the general formula (35.9) leads to
A(2) E _ ~ 15 ( 2 11)
,,- -hw4\n +n+ 30
~ 1
- hw S(34n 3+51n 2+59n+21). (35.12)
then we obtain coefficients as shown in the table and can easily compute
the energy levels. The latter have been shown in Fig. 20 for the per-
turbation 8 1 ~3 as a function of the dimensionless parameter 8t/hw.
A(2)
n Jr.1) Jr.2)
" " "
11 J. 21
0 8 4 8
71 12 165
8 4 -s
191 II 615
2 -s 4 -8-
12 1575
3 ~ 4 -8-
Since there is no first-order effect the curves are parabolae with the
vertex at 81 =0. The negative sign of the perturbation is caused by
the broadening of the potential parabola for higher values of 81 where
Perturbation c, 3
n=O
o 0.05 0.10
Fig. 20. Energy levels for the asymmetrical anharmonic oscillator. There are only
contributions in second perturbation approximation. The line Vm.Jhw gives a
rough limit for the suitability of the approximation
84 One-Body Problems without Spin. One-Dimensional Problems
/ Perturbation e2!/
n=1
----
n=O
O~~~~-O~.~5~~~~~O
T:;-
Fig. 21. Energy levels for the symmetrical anharmonic oscillator. The broken lines
correspond to the fIrst approximation only, full lines include the second
Problem 36. Approximate wave functions 85
uo= va 1 nx
cos 2a ;
h2 n2
EO =2rna 2 '4 (36.1)
and
1 . nx h2
U1 = 1 r: SIn - ; E 1 = - 22 . n 2 . (36.2)
Va a rna
The simplest polynomial approximations with the same zeros are
Uo = W.[1-(~YJ (36.3)
and
U1 = Vffi[~-(;Yl (36.4)
All the wave functions (36.1) to (36.4) have been normalized according to
-a
h 2 f dx-
E=- (dU)2
2rn dx
-a
Elementary integrations yield the approximate values
_ h2 5 _ h2 21
EO =-22 ' - and E1 =-22'-2' (36.5)
rna 2 rna
86 One-Body Problems without Spin. One-Dimensional Problems
The wave function describing a wave coming from the left side must
asymptotically become
u = ei/cx+Re-i/CX for X--' - 00; }
{
ce- Kx if E < Vo for X--' + 00, (37.2)
u = Ceil'x if E> Vo for X--' + 00.
(37.3)
(37.5)
Problem 37. Potential step 87
With
d 1 d x
- = - - y(1-y)-; 1+tanh- = 2(1-y)
dx a dy 2a
we then arrive at the differential equation
d2u
y(1-y)-
du
+ (1-2y)- + [X2 - -A?] u=o. (37.6)
dy2 dy y(1-y) Y
(37.10)
with a constant C still to be fitted we now show just to satisfy the boundary
conditions (37.2).
If we start with the limit x-+ + 00 or y:::::e-x/a-+O, the solution
(37.10) becomes f(O)=C or
(37.11)
'1;' '22m
u-+Ce ' X wlthk =1;2(E-VO>. (37.12b)
2Fl(J.l+V,J.l+V+ 1,2v+ 1; y)
r(2v+ l)r( -2J.l)
= r(v- J.l)r(v- J.l+ 1) 2Fl{J.t+V,J.l+ v+ 1,2J.l+ 1; 1- y)
or, with
J.l= +ix, J.lia = ik (37.13)
1
r(z) = - r(z+ 1)
z
we find
or, using the wave numbers k on the left and k' on the right-hand side
of the step, { . h (k-k')
sm n a.
IRI2 = sinhn(k+k')a
}2 ()
37.17
NB I. If a is very small, i. e. in the limit of a discontinuous potential jump
at x = 0, the last expression simply becomes
k-k')2 (37.18)
\R\2= ( k+k' .
40
30
o
"
4
ax-
Fig. 22. Three different Poschl-Teller potentials for ).=2 and ,,~J.. Only for
,,=). the potential hole is symmetrical
where
a= ~ (x + A+ ~). b= ~ (x + A- ~).
We have yet to determine the integration constants C1 and Cz in
(38.8) by taking account of the boundary conditions (38.2) which, in
the variable y, run
u(O) = 0; u(l) = O. (38.2')
At y=O, the two hypergeometric series are = 1 so that
" 1-"
U~Y"(C1 +Czyt-")= C1y2+C z Y-Z-.
Since x> 1, the second term becomes singular so that there follows
C z =0. At y= 1 we use the transform
92 One-Body Problems without Spin. One Dimensional Problems
2Fl(a,b,c; y)
F(c)F(c-a-b)
= r(c-a)r(c-b) 2Fl(a,b,a+b-c+ 1; 1- y)
F(c)F(a+b-c) c-a-b
+ F(a)F(b) (1- y) 2Fl(c-a,c-b,c-a-b+ 1; 1- y).
we find
100
90
80
, 70
En 60
Va 50
40
30
20
10
2 3 4
K---
Fig. 23. Energy levels in Poschl-Teller potentials for ..1.=2 in dependence on the
asymmetry parameter x
and, neglecting the deviation of the potential from the parabolic shape,
This approximation holds, of course, only if Izl at the classical turning points (z,)
is much smaller than 1/a. or if
This result will hold exactly in the limit IX-+O, ..1.-+00, with A.IX2 remaining fmite.
Literature. Poschl, G., Teller, E.: Z. Physik 83, 143 (1933). - Rosen, N.,
Morse, P. M.: Phys. Rev. 42, 210 (1932). - Lotmar, W: Z. Physik 93,528 (1935).
94 One-Body Problems without Spin. One Dimensional Problems
II.X-
with A. > 1. For positive energies the coefficients of reflection and trans-
mission are to be found; for negative energies the eigenvalues shall be
determined.
Solution. In the Schrodinger equation
y(l- y)v" + {(A. +~) - (A. + I)Y} v' - ~ (A. 2 + ::) v = O. (39.5)
Problem 39. Potential hole of modified Poschl-Teller type 95
(39.9)
With B=O, A= 1 we find the even standard solution,
ue(x) = coshA.(Xx 2F1(a,b,t;-sinh 2(Xx) (39. 10 a)
and with A = 0, B = i the odd standard solution,
uo(x) = coshA. (X X sinh(Xx 2F 1(a+!, b+t,!; -sinh2(Xx). (39.10 b)
These solutions we shall discuss in detail.
To answer the above questions, we first need the asymptotic be-
haviour of (39.10a, b) at negative infinitely large values of the argument
- sinh 2 (Xx ~ - 2- 2 e2111xl;
the well-known formulae yield
u (X)~2-A.eA.lllxlr(~){ r(b-a) 22ae-211111xl
e 2 r(b)r(t-a)
(39.11 b)
3 The solution is wanted for 0 ~ Ixl < 00 or 1 ~ Y< 00. The hypergeometric
equation
y(1-y)v" +[c-(a+b+ 1)y] v' -abv = 0
runs in the variable z = 1- y.
z(1-z)v" + [c' -(a+b+ 1)z] v' -abv = 0
with c' =a+b+ 1-c. Eq. (39.7) reduces to the usual form in the variable z. The
domain wanted in z is - 00 <z~o.
96 One-Body Problems without Spin. One Dimensional Problems
u,,(x)-+r(~){r(~-~~r;(~~j~) .-..,.
2 2cx 2 2cx
-i!.log2 }
r(ik/cx)e II i11"1
(39.12 a)
+
r(-+i-)r(-+i-)
A.
2
k
2cx
1-A.
2
k e
2cx
and
-+i- r (1-
II
(39.13 a)
cP" = arg
r
(A.
2
k)
2cx--+i- 2
A. k)
2cx
and
-i!.log2
r(ik/cx)e
--+i-k) r (1--+i-
k)
II
(39.13 b)
CPo = arg (A.-1 A.
r 2 2cx 2 2cx
the two functions become
U"-+C,,cos(klxl+ cp,,); Uo -+ Co cos(klxl + CPo) (at x~O), (39.14)
with amplitude factors to be computed from (39.12 a, b) but of no interest
for our purpose.
We now compose a linear combination of the two fundamental
solutions, say,
Problem 39. Potential hole of modified Poschl-Teller type 97
A . B .
- C e1q>. - - C e1q>o =R
2" 2 0 ,
From the second and fourth of these equations, AC" and BCo can be
determined, and then T and R computed from the first and third ones:
(39.16)
From these amplitudes there follow the intensity coefficients of trans-
mission,
(39.17)
and of reflection,
IRI2 = cos 2(<p" - <Po). (39.18)
They satisfy the conservation law
ITI2+IRI2=1
and depend upon only the phase angles and not upon any normalization
factors in the eigenfunctions.
To compute the coefficients (39.17) and (39.18) let us go back to Eqs.
(39.13) which, with the abbreviation
k/2a.=q,
98 One-Body Problems without Spin. One Dimensional Problems
yield
.
Iq
1 A- * A-
+ - - - = 1 - Z 1 and i q + 1 - - = 1 - z!
2 2 2
so that pairs of arguments may be combined in (39.19) according to
(39.20) thus leading to
qJe-qJo=-argSin1te;1 + iq)+argSin1t(~+ i q)
= tan - 1 (tan 1t2;' tanh 1t q) + tan - 1( cot 1t2A- tanh 1t q)
or by an elementary reshaping,
qJe-qJo=tan
_ 1 {Sinh 1t
.
k/a} . (39.21)
sm 1t;'
1.0
t
/Rf 0.5
1.5 2
A.-
Fig. 25. Coefficient of reflection, at two different energies, as a function of hole size
E= (39.23)
2m
and the parameters (39.6) become real, viz.
(39.24)
A normalizable solution is therefore possible for ,,>0 if, and only if,
the factor of the first term vanishes. Since the r functions are now all
taken for real arguments where poles exist at negative integers
- n (n = 0, 1,2, ...) the eigenvalues follow from
I-A."
--+-=-n "
or -=A.-1-2n
2 2ex ex
1 - -A."
+ - = - n or -" = A. - 2 - 2 n
2 2ex ex
for odd eigenstates. Hence the energy terms become, with a slight change
in notation,
(39.25)
n=4
n=3
n=2
2m
2"2" En
fla n=/
n=O
Fig. 26. Energy levels in modified Poschl-Teller holes of different size. The broken
line represents the depth of the potential hole
(40.1)
u(O) =0 (40.2 a)
to be supplemented by
u(oo)~O . (40.2 b)
2m 2 g 1 2mE A
~=r; IT=r (40.3)
(40.4)
d2 u
d~2 - ~u=O, (40.5)
The interval of classically permitted motion lies between the two classical
e e
turning points at = - A and = 0 (Fig. 27), i. e. entirely at negative
values of e.
102 One-Body Problems without Spin. One Dimensional Problems
n=1O
g
8
7
6
5
L -_ _ _ _ _ _ _ _ _ _L -_ _ _ _ _ x
,=0
Fig.27. Gravitation potential over Earth's surface with the ten lowest energy levels
Ai,
(40.7)
For positive values of ~ (to the right of the turning point at ~ =0 or x=,A
in Fig. 27) this function may be expressed in terms ofthe modified Hankel
function
(40.8)
4 The Airy function is well tabulated today, and so are its zeros. cr. e. g.
Abramowitz, M., Stegun, I. E.: Handbook of Mathematical Functions. New York:
Dover Publ. 1965. - The accompanying table of zeros has been taken from
this source.
Problem 40. Free fall of a body over earth's surface 103
Ky(Z)-+Wze- z; Z-+OO
so that
(40.9)
In the classical interval, i.e. for negative values of e, the Airy function
is represented by Bessel functions,
or
(40.10)
Ai(-l)=O (40.11a)
or
Jt(!l!)+J -t(jl!)=O. (40.11 b)
Table of zeros
Ai( -1.)=0
n A.,.
1 2.338
2 4.088
3 5.521
4 6.787
5 7.944
6 9.023
7 10.040
8 11.009
9 11.936
10 12.829
104 One-Body Problems without Spin. One Dimensional Problems
The first ten zeros are given in the accompanying table; the corresponding
energy levels have been inserted into Fig. 27, above. For higher levels,
A. ~ 1, we may use the asymptotic relations
Jt(z)--+1V;;
j2 cos(z - 511:); J -t(Z)--+ j2 cos(z - .!:.)
1V;;
12 12
leading to
u(c;) --+ ~ lel- t cos(~ lei! - ~) , (40.12)
Vh 3 4
for large negative values of e, and to the eigenvalue condition
~A.!=(2n
3 n
- .!.)~
2 2'
(40.13)
is e= 1.03 x 10- 25 erg for electrons and smaller for bigger masses. These orders
of magnitude give a fair impression of the vanishing quantum effects in macro-
scopic bodies. The wavelength of the wave function (40.12) then becomes extremely
small so that only average values of u2 , taken over many wavelengths, retain
any meaning:
Ap Ax=V2mE.~=h,
mg
or
E= Vth 2 mg2 = E,
(41.1)
with v the velocity at the distance x from the emitting surface, shall be
corroborated by quantum mechanics.
Solution. As V(x) = -eSx, we have to solve the Schrodinger equa-
tion
(41.2)
for x> 0 (Fig. 29), looking for such solutions which represent waves
running in the positive x direction. In a similar way as in the preceding
problem we now use the characteristic length 1 and the dimensionless
energy parameter A., defined by
2me8 1 2mE A.
(41.3)
-----,;z r' 7 r'
and the dimensionless variable
(41.4)
106 One-Body Problems without Spin. One Dimensional Problems
(41.6)
~~------------x
(41.7)
S Note that (41.7) is identical with the WKB approximation. Here, as in the
preceding problem, we have not used the Airy function, because no difficulties
of analytic continuation occur, and furthermore, because the solution sought in
this case is a linear combination of the Airy functions of the first and second kind,
the ratio of both giving the particle velocity v. From (41.7) we get
du
dx
=!(-~+i~)U
I 4e
so that, from (41.8), we find
or
v=~=~~=~
p ml m
vx+n
It
which, using (41.3), may be reshaped into
with
n
L
IAn ,1 2 = 1. (42.6)
",=0
b) In polar coordinates, the potential depends upon r only, thus
permitting factorization:
u(r,tp) = v(r)e iM ",; M = 0, 1, 2,.... (42.7)
This leads to the differential equation
where
(42.8)
and
E = hw(lMI + 1+2nr)' (42.11)
As in Eq. (42.4), we may put
IMI+2nr=n
and again find degeneracy of the same multiplicities as above.
c) Comparison. Each solution (42.10) is an eigenfunction of the two-
dimensional angular momentum operator
NB. The problem should be compared with that of the spherical oscillator,
Problems 65 and 66.
(43.3)
Problem 43. Stark effect of a two-dimensional rotator 111
(43.4)
(43.6)
or
(43.8)
(43.9)
(43.11)
n -
distance R apart (Fig. 30). The parameter 1 may be used as a Ritz parameter.
'b
170.
aRb
(44.2)
with Ee the energy of the electron. The energy of the molecule for fixed
nuclei then is
(44.3)
and
(44.9)
It is evident from symmetry considerations that there are two solutions,
a symmetrical one with
1 E = _(a_IH_I_a)_+_(_b_IH_la_)
a=p = ; (44.10)
V2(1+S) e I+S
a= -P=
1
; Ee = -
(aIHla) - (bIHla)
----- (44.11)
V2(I-S) I-S
and that the symmetrical solution belongs to the lower energy level
thus leading to the ground state of the molecule. We shall therefore
restrict our further considerations to Eq. (44.10).
Using the special normalized functions la) and Ib) defined by
Eq. (44.1), we find by direct evaluation
(44.14)
Problem 44. Ionized hydrogen molecule 115
(44.15)
(44.18)
It remains to evaluate the integrals ((J, 8, and S. The integral ((J, the
so-called classical interaction integral, describes the Coulomb repulsion
by proton b ofthe electron charge centred according to the wave function
la) about the proton a. It can be computed by expanding (cf. Fig. 30)
Only the term n = 0 of this series then contributes to ((J which may be
evaluated by elementary integrations:
1
((J =- [1-(1 +yR)e- 2yR ]. (44.19)
R
The integral 8 is called the exchange integral. It has no classical equivalent
and is a consequence of the symmetrization of the eigenfunction (ex-
change of the places at a and at b of the electron). It can be evaluated in
prolate ellipsoidal coordinates over the two protons as foci, putting
e
and using besides and " the angle q> about the molecular axis as the
third coordinate. Then the volume element is
116 One-Body Problems without Spin. Problems of Two or Three Degrees of Freedom
so that from
oE
~ = 2y f(P)+g(p) =0
oy
we may determine the optimum
g(P)
y= - 2f(P)
yielding
g(P)2
E - ---
mol- 4f(P)'
Table of results
yR=p y -Emol R
The minimum can be fixed even more accurately than shown in the
table, if an energy parabola is put through the three points at p = 2.3, 2.5
and 2.8. We find by interpolation
Ro =2.08 a. u. = 1.10 A
and has a depth of
Vo= -0.5866a.u.
D= -1-(Vo+thw)=0.0866-thw=2.36eV -thw.
The zero-point energy may be roughly computed by considering only the
harmonic approximation (44.26) to the potential with the obvious
identification t M w 2 = 0.0380 (cf. Problem 30) and M the reduced mass
of the vibration, i. e. one-half the proton mass. This leads, in atomic
units, to hw=0.00913 and thus to a zero-point energy of
(45.1)
x<O x>O
k'
---r"-----'!>f'"""--u:...-- x
Fig. 31. Definitions of wave vectors and angles for oblique incidence
Hence, there follows the law of reflection, IX = IX', and the Snellius re-
fraction law,
sin IX K
(45.6 a)
sin{3 = k
Ii
S= -.- (u*Vu-uVu*). (45.8)
21m
120 One-Body Problems without Spino Problems of Two or Three Degrees of Freedom
s",=~kCOSIX(1-R2); }
(45.9)
Sy = ~ k sin IX {1 + R2 + 2R cos(2kx cos IX)} .
K=ix.
Since Eq. (45.4) still must hold, so that Ky=ksinIX and Kz=O, it fol-
lows that
R = iX",-kcoslX . T= -2kcoslX
(45.7')
-kCOSIX-ix", ' -kCOSIX-ix",
Thence IRI2 = 1, so that the reflected intensity equals the incident one,
in agreement with the behaviour of any waves in the case of total
reflection.
NB. The considerations of this problem have the same structure as those of
optics. The theory ofa light wave, incident upon a refracting surface, is much
more complicated, however, because of the vector character of light, whereas here
we are simply dealing with scalar waves. Eq. (45.7) corresponds to Fresnel's for-
mula for the electrical vector component perpendicular to the plane of incidence.
The three Eulerian angles 8, qJ, 1/1 are generalized coordinates and, since
Telass is a quadratic form in 8, q" t/J, the method for its translation into
quantum theory given in Problem 13 may be applied. The metrical
tensor there defined has the covariant components
gss=A, gstp=O, gS"'=o,}
gtps=O, gtptp=Asin 2 8+Ccos 2 8, gtp",=Ccos8, (46.2)
g",s = 0, g",tp = Ccos8, g",,,, = C
with the determinant
g = A 2 Csin 2 8. (46.3)
The contravariant components then follow from l"=GiI.!g:
1
gss=A' gStp = 0, gSI/I=O,
112 {1 0 0) 1 f..
02 2cos8 02
T= -2A sin808\sm8 08 + sin 28 OqJ2- sin 28 oqJoI/I
The Schrooinger equation for the force-free spinning top then becomes
simply
Tu=Eu (46.6)
since there is no external potential energy, so that T is identical with
the hamiltonian.
Eq. (46.6) with the operator T, Eq. (46.5), may be solved by fac-
torization:
u = f(9)e i (Mtp+Kt/I). (46.7)
Since the angles qJ and 1/1 both run through an interval2n, the quantum
numbers M and K must be integers to make u unique. They can very
simply be interpreted: 11M is the component of angular momentum in
the direction of the space-fixed z axis (polar axis) and 11K in the body-
fixed direction of the figure axis.
Problem 46. Symmetrical top 123
With (46.7) for the wave function, we obtain for f(8) the differential
equation
_~{_1_ ~(sin8~)- M2 + 2MKcos8
2A sin 8 d8 \ d8 sin 2 8 sin 2 8
_ (~C + COS 2
. 20
sm
8)
17
K2}f= Ef (46.8)
2A
A=-E-K --1)
2 (A (46.9)
112 C
and introducing the variable
(46.10)
Then, by writing
f(s) = sP(1- s)q F(s) , (46.13)
Eq. (46.11) is transformed into the differential equation of the hyper-
geometric series:
s(1-s)F" +[(2p+ 1)-(2p+2q+2)s]F' -[(P+q)(p+q+ 1)-A]F=0
(46.14)
solved by the function
F = 2Fl(P+q+ 1+J,p+q-J,2p+ 1; s) (46.15)
regular at s=O (8=n) with
A = J(J +1) (46.16)
or, according to (46.9),
112 112 - - - K2
E=-J(J+1)+-
2A 2 CA'
(1 1) (46.17)
124 One-Body Problems without Spin. Problems of Two or Three Degrees of Freedom
with
(46.20)
(46.21)
0 0
and
n
Jd9sin91dkKI2 = 1,
o
(46.22)
the latter leading to
(J +p+q)! (J +p-q)!
(46.23)
(J-p+q)!(J-p-q)! .
Problem 47. Infinitesimal rotation 125
These functions are remarkable from a mathematical point of view as the matrices
~J with the elements ~~K form a 2J + 1 dimensional representation of the
rotational group in 3-space. See also Problem 55.
NB 2. The method by which the operator T, Eq. (46.5), has been constructed
has by no means been proved to be applicable to the rigid body, since in Prob-
lem 13 only the use of generalized coordinates for a system of point masses had
been treated. What is even worse, there can be no rigid body in quantum mechanics
because rigidity means a constraint to the internal motion of the constituents
which leads to an infinitely large zero point energy. Only by a correct separation
of these internal motions from the rotations of the system can the problem be
solved. This has been done 7 in a paper by S. Fliigge and A. Weiguny (Z. Physik
171, 171, 1963) where the separation and the limiting process to infinitely small
vibrations of the constituent particles about equilibrium positions have been
performed.
The expression (46.5) and the quantum theory of the symmetrical top had,
of course, already been found much earlier, their first treatment being due to
F. Reiche, Z. Physik, 39, 444 (1926).
(47.1 b)
Then the three infinitesimal quantities Bj are the angles of rotation with
respect to the three axes x, y, z. We remark that the inverse trans-
formation is obtained either by}nversing the signs of all three Bj or
by using the transposed matrix A. Hence,
7 The problem was first attacked by Welker, H.: Z. Physik 101,95 (1936).
126 One-Body Problems without Spin. The Angular Momentum
A function f(r) will, under the transformation (47.1 a-c), tum into
a function /'(r') of the new coordinates. The latter function can be
expressed in terms of the original coordinates r by a Taylor expansion,
/' (r') = /'(r)+(b r V) /,(r) (47.2)
with br=r'-r=Ar, and higher-order derivatives neglected. Now, one
finds from (47.1 b) that
6zY - 6YZ)
Ar = ( -6z X + 6x Z (47.3)
6y X - 6x Y
so that (47.2) becomes
/'(r') = /,(r) + {(6zY -6y Z) oOx + (-6z X+6xZ) :Y + (6y X-6xY) :Z} /,(r).
Ordering the terms with respect to the 6/S and introducing the angular
momentum operators
L
x
=!!.(y~-z~)
i OZ oy etc. cyclic (47.4)
we get, with 6=(6x ,6y ,6z ),
To use the solution ofthe preceding problem in order to find the angular
momentum components in spherical polar coordinates by infinitesimal
rotations about the x, y, and Z axes.
Problem 48. Components in polar coordinates 127
"'(r') = {1 - * L)}
(e' "'(r). (48.1)
*
On the other hand, according to (48.1),
h
L z =7 ocp'
(48.2)
Next, we rotate the coordinate system bye" about the x axis. Then
again, r' = r, but both 8 and cp will be changed into
y' = r sin 8' sin cp' = r(sin8 sincp +l8 cos8 sincp +lcp sin 8 cos cp)
and, on the other hand,
y' = y+e"z = r(sin8sincp+e"cos8)
128 One-Body Problems without Spin. The Angular Momentum
we obtain
~ ..9 cos .9 sin tp + ~ tp sin.9 cos tp = 6" cos .9
Ii(. 0
L" = - -:- SID tp - + cos tp cot.9 -0 .
I 0.9 tp
0) (48.5)
and
Z' = r cos.9' = r(cos.9 - ~.9 sin.9)
L = -
y
~(-COSep~
i 0,9
+ sinepcot,9~).
oep
(48.9)
"
hi .(0
C=L -iL = - -e-'tp
y0,9
0) .
i - + cot,9-
oep
(48.10b)
Eqs. (48.2) and either (48.5), (48.9) or (48.10 a, b) form the solution to
our problem.
o
oep e tp = e tp
-i -i (
-I
. 0)
+ oep
010
-cot,9= - - - + cot,9-
0,9 sin 2 ,9 8,9'
we arrive at
2 2
L+ L- = - h2 ( -0 + cot,9 -0 + cot 2 ,9 -0 + i - 0 ) . (49.2)
0,92 0,9 Oep2 oep
130 One-Body Problems without Spin. The Angular Momentum
The operator C L + can in the same way be determined with the oppo-
site sign of the last term, so that according to (49.1)
a2 a a2 }
JJ = _1i2 { alP + cot.9 a.9 + (1+cotl.9) acp2
or
2 2{
L = -Ii -1- -a ( sm.9-
. a) + -1- a2 } .
-- (49.3)
sin.9 a.9 a.9 sin .9 acp2
2
In the latter form, the bracket is identical with the angular part of the
Laplacian so that we may write
V
2 a 2 -a- -1L .2
=-+-
2
(49.4)
ar2 r ar 1i2r2
The kinetic energy of a particle, as we know from classical mechanics,
may be written
p2 = _1 (p; + L2).
2m 2m r2
1i2
Since it corresponds to the quantum mechanical operator - 2m V2 ,
Eq. (49.4) leads to
The commutators of Lj with Xt, with Pt, with Lt , and with L2 shall be
deduced from this transformation relation.
Solution. From Eq. (48.1) we know that every . wave scalar IjJ or cp
will transform into IjJ' = U IjJ or cp' = U cp, U being defmed by (50.2).
Any measurable quantity, i.e. any matrix element, derived from an
operator F must be invariant with respect to the choice of coordinates
so that
<IjJ'\F'\cp') = <IjJ\F\cp). (50.3)
Replacing IjJ' and cp', we obtain
Since angular momentum itself is a vector, too, the same must hold
for its own components, i. e.
A scalar operator, on the other hand, does not change under rotation,
e.g. (L2)' = L2 so that it follows from (50.5) that it commutes with the
angular momentum components:
(50.11)
and in the same way:
[L,r2] =0; [L,p2]=0 etc. (50.12)
(51.1)
(51.2)
with mj the particle masses and M the total mass of the system. We
then obtain
1
[Lx, Y] = M ~ ~mk[Ljx'Yk];
[Lx,Ly] = I I [Ljx,Lky] .
j k
0 0 1
~)
0-1)
A = ex ( 0 0 o O+ez (-l
0
o (52.4)
o -1 000 o
or, in a more appropriate form,
(52.5)
with
S.~h(~
0
0 -~);
o
S'~h( ~ -I
0
0
0 i} S.~h(~
-i
0
0
n (52.6)
*~>kSk)t/I(r).
Then Eq. (52.2) becomes
t/I'(r') = (1 + (52.7)
{I - *~ekLk}t/I'(r) {I *~ekSk}t/I(r)
Combination of Eqs. (52.3) and (52.7) allows to eliminate t/I'(r'):
= +
or
(52.8)
with
(52.9)
It follows therefore that the three matrices Sk are the spin com-
ponents, J being the total angular momentum and L its orbital part.
It can easily be shown by direct calculation using the definitions in
(52.6) that the Sk'S obey the commutation relations of angular momenta,
[Sj,SkJ = -S, (j,k,l=x,Y,z or cyclic).
Each of the three matrices (52.6) has eigenvalues + 1,0, - 1 since it
differs from the 2 x 2 Pauli matrix (Jy of eigenvalues + 1 and -1 only
by the insertion of one line and one column of zeros (save of a sign
8 The three matrices in (52.4) are the generators of the rotational group SO(3)
in 3-dimensional representation.
Problem 53. Commutation with a tensor 135
in Sy) which simply adds the eigenvalue 0 to those of (1y. Hence, the
spin component in any direction has eigenvalues + h, 0, - h. The ab-
solute square, finally, becomes
(0 00
Then,
A=Gx 0
o -1 !)
TA~"(~
-T13
-TZ3
Tn)
Tzz ; AT~ .. ( ~"
0
T 3Z ~" ).
0 -T33 T32 -TZl -Tzz -TZ3
136 One-Body Problems without Spin. The Angular Momentum
(53.5)
It should be noted that all three L,;s commute with the trace of the
tensor:
[L, trT]=O. (53.9)
This may be understood from the decomposition of a symmetrical
tensor
T= 8 +t(tr T) 1
with tr 8 = O. tr T therefore is a scalar (a tensor invariant) and it has
been shown at the end of Problem 50 that a scalar always commutes
with Lt.
r2[L%, Y 2,o]=C[L3,Q33]=O;
r2[L%, Y 2.1]=CVj'{[L3,Q13] i[L3,Q23]}
=CVj'( -Q23 iQ13)= ir2 Y 2.1;
r2[L%, Y 2, 2]= CVj'{t[L 3,Qll] -HL 3,Q22] i[L3,Q12]}
=CVj'{ -Q12 -Q12i(Qll -Q22)}= 2ir2 Y 2.2
(54.4)
This result becomes rather obvious in the Schrodinger representation
. II 0 .
wIth L =- - and Y2,moce,mq>:
% i oqJ
. = -o.e,mq> - e,mq>
. - 0 = i m e,mq>
.
[L e,mq>] .
%' oqJ oqJ
We now use Eqs. (53.6) and (53.7) to construct the commutators with
L+ = L",+iLy and L- =L",-iLy '
9 The choice of the front sign is arbitrary, but the different signs for Y2.1 and
Y2 -1 simplify the fmal results.
138 One-Body Problems without Spin. The Angular Momentum
We have,
[L+, Qll]=2iQ13' [C, Qll]= -2iQ13'
[L+, Q12]= -Q13+ i Q23' [C, Q12]= -Q13- i Q23'
[L +, Q13] = Q12 + i(Q33 - Qll)' [C, Q13]=Q12 -i(Q33 -Qll)'
(54.5)
[L+, Q22]= -2Q23' [C, Q22]= -2Q23,
[L+, Q23]=(Q22-Q33)-iQ12' [C, Q23]=(Q22 -Q33)+iQ12'
[L+, Q33]=2(Q23-iQ13)' [C, Q33]=2(Q23+iQ13)'
Straightforward application of (54.3), then (54.5), and then (54.3) again,
produces the commutators with spherical harmonics for which we shall
give in more detail a few typical examples.
(54.6)
and
Eqs. (54.4), (54.6) and (54.7) form the complete set of commutators
wanted.
Problem 55. Transformation of spherical harmonics 139
z=z, h
a b
(55.4)
In a similar way we decompose the rotation through the angle y about
Z2 (Fig. 32b), frrst turning Z2 back by -p about Yl, then turning by y
about z, and finally restituting the initial position of Z2 by turning
through pabout Y1 :
(55.5)
Combining Eqs. (55.4) and (55.5) with (55.3) we fmd
or
(55.6)
This is a very general and purely geometrical formula which we
will now apply especially to spherical harmonics. The function YL,M
referring to the polar axis z is an eigenfunction to the operator Lz with
eigenvalue liM. The operator L, can, as may easily be seen from Prob-
lem 56, only affect M but not L so that in the new coordinate system
8', ql we have, according to (55.2),
+L
YL,M(8',ql)=D(rx,P,y) YL,M(8,lP) = L Dft,M' YL,M(8,lP). (55.7)
M'=-L
hence
....L _e-i(IZM"+yM) JL (Il)
UM,M"- M,M" P
with (55.9)
i
4,M"(p) = (LM"le -AIIL"ILM>
a rather involved function of the argument p. Therefore, the spherical
harmonics transform according to the law
+L
YL,M(.9',qJ') = L e- i (IZM'+YM)4,M'(p) YL,M,(.9,qJ). (55.10)
M'=-L
(56.1)
not being = 1. From (56.1), however, and from the commutation rule
L+r-rL+=2Lz (56.6)
we find
(56.7)
so that
<r L+ t/lmlt/lm> = [/(/+ I)-m(m+ I)] <t/lmlt/lm>.
The normalized Hilbert vector for the eigenvalue m+ 1 thus becomes
1 +
It/lm+1> = IL t/lm> (56.8)
VI(/+ 1)-m(m+ 1)
This construction may be repeated up to m = I, the next step leading to
L +It/II> = 0 so that the sequence breaks otT and no It/I1+1> exists.
Besides this ascending sequence the descending sequence may be con-
structed by repeated application of the hermitian conjugate operator
L- =L,,-iLy (56.9)
which satisfies the commutation rule
L-Lz-Lzr=L-. (56.10)
Applying r to (56.4) yields
L z Ir t/lm> = (m -I)1r t/lm> (56.11)
Again, we still have to normalize the Hilbert vector:
<rt/lmIL-t/lm> = <L+ rt/lmlt/lm>
= L2_L~+Lz)t/lmlt/lm>
= [/{l+I)-m(m-I)]<t/lmlt/lm>
Thus there follows
(56.12)
in each. The relations (56.8) and (56.12), therefore, except of this phase factor (in
the usual normalization, (-If) are identical with the spherical harmonics re-
currence relations:
L+ YI ,m=-VI(/+l)-m(m+l) YI ,m+1' }
C Yl,m= -VI(l+I)-m(m-l) Yl,m-l'
(56.14)
(57.3)
144 One-Body Problems without Spin. Potentials of Spherical Symmetry
The second factor then must be zero except when the first factor
vanishes, i. e. orthogonality is proved except for the pairs of either
m'=m or m'= -m-1. To exclude the last possibility we use Eq.(57.1b)
for the analogous procedure:
(r I/Irn,L- I/Irn) = (I/Irn,L+ r
I/Irn)
= [1(1+ 1)-m(m-1)](I/Irn,I/Irn)
= ( r L-I/Irn.'I/Irn)
= [1(1+ 1)-m'(m' -1)] (I/Irn.'I/Irn).
Again taking the difference,
[m(m-1)-m'(m' -1)] (I/Irn.'I/Irn) =0, (57.4)
this time the first factor vanishes for m' = m and m' = - m + 1, but not
for m' = - m -1. Both Eqs. (57.3) and (57.4) together therefore lead to
the wanted orthogonality
(57.5)
V2 =~
or2 + ~r ~
or + ..!..
r2
d (a 2)
.
Bound States 145
h (0- + -2
-2m
-
2 2
0 1 ) I/I+V(r)I/I=EI/I
-+-.s;I (aA)
or2 r or r2
then permits factorization
1
l/I(r,,9, cp) = - Xz{r) Yj m(,9, cp) (a.5)
r '
with the radial function Xz{r) satisfying the radial wave equation
- 2m
h2 (~XI 1(/+ 1) )
dr 2 - -r-2 -XI + V(r)XI=Ex, (a.6)
(a.7)
Y, ,0(.9)= ~/+l
--PI(cos.9).
471
(a.9)
L+ =L +iL =
"
h.( 0 + cot.9-
Y
~
i
0) .
-e"P - i -
0.9
oqJ ,
x
hi .(0
L-=L -iL = --e-""
Y 0.9
0) .
i - + cot.9-
oqJ ,
(a. to)
h 0
L ---
z - i GqJ
What can be said in the following two cases about the three angular
momentum components Lx, L y, L z?
a) The wave function of a particle moving in a central field depends
as Yi,m upon the angles.
b) For a given I, the wave functions Yi,m and Yi, -m show the same
dependence upon 9. Both being degenerate solutions, linear combina-
tions proportional to cos m <p and sin m <p may be constructed which
yet remain solutions of the central force Schrodinger equation.
Solution. a) The spherical harmonic Yi,m is eigenfunction of L2 for
the eigenvalue h2 1(l+ 1) and of L z for the eigenvalue hm. The latter
component therefore has a sharp value in this state. The two compon-
ents Lx and Ly then are bound to be undetermined in this state because
of the non-commutability of angular momentum components (see
Problems 50 and 51). This corresponds to the classical picture in the
following way. For each individual motion, all three components of L
have fixed values, viz.
Lx=L sin 9 cos<p; Ly=L sin 9 sin<p; Lz=L cos9.
We are, however, using incomplete information which permits exact
determination of L z but none at all of the "phase" angle <po Then, in any
individual case, we can only determine phase averages as
f
2"
- = -1
Lx d<p Lx etc.
2n
o
Since L z does not depend on <p, it has a sharp value; the phase averages
of Lx and Ly vanish. The difference of classical and quantum mechanics
lies in the fact that in classical mechanics complete information is
possible thus making phase averaging avoidable, whereas in quantum
mechanics the non-commutability of operators necessarily makes infor-
mation incomplete, leaving us with averages as best results.
Instead of phase averages, in a stationary state, quantum mechanics
permits the calculation of the expectation values or state averages,
<Lx> = t dQ Y~mLx Yi,m etc.
The expectation value describes the average result obtained by a large
number of independent measurements performed on systems all in the
same state. If all these measurements give the same result (as in our
case for L z ), then the value is sharp and the expectation value becomes
an eigenvalue; if there occur different results, only their average can be
derived from quantum theory.
148 One-Body Problems without Spin. Potentials of Spherical Symmetry
possible as before under a), the angle 8, however, now being restricted
(not as before to one sharp, but) to two possible values 8. = 8 and
8 2 =1[-8 leading to L z = Lcos8 and
Lz = Lcos8-Lcos8=O.
In quantum mechanics, the expectation value of L z follows from a
mixture of two states with +hm and -hm in equal parts. This can be
seen from Eqs. (58.3) and (58.4): By application of Lx and L y , quite
different functions are formed instead of u+ and u_; by applying L z
we merely exchange u+ and u_ so that by their linear combination we
can again construct eigenfunctions of L z , viz.
and
NB. Real combinations of the type (58.2) play a role in quantum chemistry
where a favoured direction to a neighbouring atom in the molecule often has
precedence over considerations of angular momentum.
2
(r + r)
P. = -1 p-
r
-p .
r
(59.3)
150 One-Body Problems without Spin. Potentials of Spherical Symmetry
will hold here if it holds for the rectangular components. This proof will
be given by using the relation
h
pr-rp=3-:-
I
Prr-rPr =- 12{+ I I }
(pr) -(rp)r-r(pr)- - (rp)
r r
= -
2
1{h + -1r ( h)
3-:-
I
I}
r
pr-3-:- r-r(pr)-
I
= ~
2r
{(pr)-r 2(pr) 12 } r.
r
Here, in the last term,
r2(pr)=(x 2 + y2 +Z2)(px X+p"y+p z z)
which may be commuted according to
fa
x 2px= -2-:-x+Px x 2 etc.
I
thus arriving at
We then obtain
Pr =-
1{ x+
2
Px -
r
y
P -
"r
z x
+ pz -r + -r Px + -yr" z} .
P + - pz
r
Problem 59, Construction of radial momentum operator 151
where
h 0
Px = i ox etc,
and therefore
x x ) tjJ=--;-
( Px-+-Px h {o
- -tjJ +x-OtjJ}
- (X)
r r I ox r r ox
= ~{2~r
I
otjJ + (~_ x 2 )tjJ} ,
ox r r3
Pr = ~(~ + ~),
or r
I
(59,S)
for any pair of complex functions u and v for which these integrals
exist:
<uIPr v ) = f
d'tu* i
h (ov
or + -;: v ;
1)
--;-
I
f
h d't {ov
u*-
or
ou* 1
+ u*-v + -v+u*-v =
r or
I}
r
0
or if
152 One-Body Problems without Spin. Potentials of Spherical Symmetry
fdr~(u*vr2)=
or [u*vr2]ij
o
which indeed vanishes if u* and v remain finite at r=O and vanish
exponentially for r-+ 00. It should be noted, however, that the normaliza-
tion integrals (ulu) and (vi v) will still exist if u and v become singular
as 1/r at the origin. Normalization alone therefore does not always
suffice to exclude solutions without physical significance, e.g. inside a
spherical potential well for 1= O.
Vo being the well depth. The wave functions shall be drawn for 1=0
and ka=2.20; 2.28; 2.36, k being the wave number inside the well.
These values of ka are chosen to lie rather close around the lowest
eigenvalue.
Solution. Let
(60.1)
be the energy parameter outside the well, then the wave function will
be inside the well
1 .
Uj = - stn(kax) (60.2 a)
ka
and outside
cos ka sin ka
Ue = --sinh[xa(x-1)] + --cosh[xa(x-1)], (60.2 b)
xa ka
with
r
x=- (60.3)
a
the dimensionless radial coordinate in units of the well radius. The
normalization has arbitrarily been chosen to satisfy the boundary
conditions u=O, duldx= 1 at x=O. The coefficients of ue(x) are
Problem 60. Solutions neighbouring eigenfunctions 153
-0.4 o r.a--- r
ka=2.36
2.28-==*=====l
2.20
Fig. 34. Wave functions for energy levels in the immediate neighbourhood of an
eigenstate
has been added. If the energy chosen is lower than the one of the eigen-
value (ka = 2.20), the wavelength inside the well is too long and the
decrease of wave function at the well surface is not steep enough to
bring the amplitude asymptotically down to zero; the function then
rises again at large distances. On the other hand, if the energy chosen
154 One-Body Problems without Spin. Potentials of Spherical Symmetry
is too large (ka=2.36) and hence the wavelength inside too short, the
wave function at the surface falls off too steeply, thus arriving at zero
at a finite distance, beyond which it again increases exponentially but
with negative amplitude. The intermediate value (ka=2.28) lies so
close to the eigenvalue (60.5) that the wave function almost tends towards
zero. Since the energy is still just a little larger than it should be, there
is a very slow rise again at large distance, with negative amplitude,
which would vanish for the ka value (60.5).
we then have
(61.6)
The integral (61.6) can easily be evaluated by using the general relation
cos.9 Y" m(.9,q = a"m Y,+l,m+a,-l,m Y,-1,m
with (61.7)
(/+ 1 +m)(/+ 1-m)
a',m =
(2/+ 1)(21+3)
Making use of orthogonality properties we therefore find from (61.6)
Qzz = (r2) 3[(a~m + af-l,m) -1]
Elementary evaluation of this expression finally leads to
2/(1+ 1)-6m2
2
Qzz=(r )(21-1)(21+3) (61.8)
11 The quadrupole moment vanishes also for 1= 3, m = 2, but this is the only
exception to the rule, at least up to 1= 16.
156 One-Body Problems without Spin. Potentials of Spherical Symmetry
1;'+ [ k
2 1(/+
-~ 1,=0;
I)J 2
k =-
2mE
(62.2)
h2
in o::s; r::s; R, and zero outside. This differential equation can, by using
Z= k r as variable and splitting off a factor zt,
be reduced to
(62.3)
j,{z) = VT J, +t{z),
lfnZ }
(62.4)
+1 7tZ
n,{z) = (-It WL(,+t){Z)
and with the power series around the origin, approximated for
Izl~/+t each by its first term,
(62.8)
diverge at the origin (cf. also Problem 65). Hence, normalizable solutions
are restricted to
(62.9)
Since, for each given value of I+t, the Bessel function has an infinite
number of zeros, we find an infinite number of values k". 1 and of energy
levels
(62.11)
for each I, with nr = 1,2,3, ... the radial quantum number counting the
zeros.
For the lowest 1values, the spherical Bessel functions are
12 For 1=0 and small r, this solution would become u ~..!.. and the kinetic
energy integral E~fdr/r2. r
158 One-Body Problems without Spin. Potentials of Spherical Symmetry
and for higher values of I they may easily be constructed from the
recurrence relation
(62.13)
200 9
3
780
5
8 2
760 0
740 7 4
7
6 3
700
5 0
2
80
4
7
60
3
0
40 2
7
20
0
They all tend towards either nn for even, or (n+!)n for odd I. In Fig. 35,
the lowest energy values have been represented in mUltiples ofh2/2mR2,
and the parameter
(62.15)
has been tabulated completely up to 15.
Problem 63. Square well of finite depth 159
:>:1 o
1
3.142
4.493
2
6.283
7.725
3
9.425
10.904
4
12.566
14.066
2 5.764 9.095 12.323
3 6.988 10.417 13.698
4 8.183 11.705
5 9.356 12.967
6 10.513 14.207
7 11.657
8 12.791
9 13.916
NB. This problem is closely related to the simpler, one-dimensional one dealt
with in Problem 18. The solutions for 1=0 exactly correspond to the antisymmetric
wave functions of the one-dimensional problem.
- Vo for r<R,
V(r) = {
o for r>R (63.1)
for 1=0,1,2. Numerical results shall then be determined for the "well
size" 2mVoR2/h2=100.
Solution. With the abbreviations
2m Vo 2.
~=ko, (63.2)
(63.3 a)
inside, and
(63.3b)
160 One-Body Problems without Spin. Potentials of Spherical Symmetry
outside the well, for bound states. Eq. (63.3 a), with the obvious boundary
condition X,(O)=O, is solved by a spherical Bessel function,
(63.4 b)
jz(z) = (2. -
Zz
l)SinZ - ~cosz,
z
h~l)(Z) = ( - -3i - -3 +;) eiz
Z2 z
For higher values of I, there may be used the recurrence formulae
with
(63.10a)
xoe
fl(X O' e) = e2 ; (63.10b)
1 +--2(1+xoV1-e2)
1-e
f2(XO,e) = xoe'
1 +xo V1- e +!x~ e2(1- e2)
2
---'-'-------=.----'----- (63.10c)
1 +xoV1-e 2 [1-!x~e2(1-e2)]
The values of e, and thus of x, satisfying these equations are most easily
found by a graphical procedure. In Fig. 36 the function tanxoe has
been drawn for Xo = 10 in the physical interval 0< e < 1. Its intersec-
tions with the functions f,(e) are determined and by tabulation of the
Well offmite depth, x values for Infinitely deep well, x values for
ViVo
0.5 T.O
0
-0.2
-0.4
-0.6
-O.B
-T.O
Fig. 37. Wood-Saxon potential for a/R=0.2. The rectangular hole corresponds
to a/R=O
Problem 64. Wood-Saxon potential 163
It then runs
cPx dX _f32+y2y
y(1-y)-2 + (1-2y)- + X=O.
dy dy y(1-y)
This equation is to be solved with the boundary conditions
X= 0 at y = 0 (r = 00 )
and y~ 1_e-Rla~ 1 (r=O). (64.4)
Writing
(64.5)
we find
y(1- y)f" + [(2 V + 1)- y(2v +2Jl+ 2)]/,
1-y y
+ [ v(v-1)- + Jl(Jl-1)- - 2Jlv
y 1-y
1-2y 1-2y -f3 2 +ly]
+v- - - Jl-- + / =0. (64.6)
Y 1-y y(1-y)
If the parameters v and Jl are chosen to be
(64.7)
the factor of / in (64.6) does not depend on y and the equation becomes
the hypergeometric differential equation:
y(1- y)f" + [(2 v + 1)- y(2v+ 2Jl+ 2)]/, -(v+ Jl)(v+ Jl+ 1)/ =0. (64.8)
which leads to
JL=IA;
1 1
A
= Vy2 _ p2 . (64.11)
We then write
{ 1 r(2il)r(P+l-iA)r(P-il) .1}
x (l_y)l + r(-2il)r(P+ 1+il)r(P+il)(l-yf 1
(64.12)
If now we omit the factor in front of the curly bracket in (64.12), since
the function is unnormalized, and put (64.13) into (64.12) for l-y, the
boundary condition leads to
.AR .AR
e -I"'iI + exp(2 i'" -4iq>-2i tan -1 )"/{J)e''''il = O.
This leads on to the eigenvalue condition
q>=-tan -1)"-+)"
(J
{-C+ ;, (1---tan
n)"
1 -1),,)}
-- .
L....
n=l n+{J
Putting these expressions into (64.15), we get
)"R
- -
;, (
L.. tan- 1 -2A. - 2tan- 1 -)"-) + tan- 1 -)" = nn. (64.16)
a n=1 n n+{J (J
To discuss this result it is expedient to introduce the parameters
-kR = -tan { kR - ;.
i..J ( tan- 12ka
- - 2tan- 1 -ka-)} . (64.18)
xR n=1 n n+xa
For a-+O the sum terms vanish and we fall back upon the eigenvalue
condition of the potential well,
kR
- = -tankR.
xR
Series expansion of (64.18) into powers of the small parameter
a,=a/R (64.19)
(65.1)
1
u(r,8,qJ) = -r 1,(r) Yj m(8,qJ)
.
(65.2)
+ [2
tPXI
-dr2
k -A2r 2-1(/+1)J
- - XI=O.
r2
(65.5)
tP v
t dt 2 + [(/+ 23)-t] dv [1 3 1]
dt - 2(/+2")-21l v=O,
14 For 1=0 the second solution can be normalized, but not the energy integral.
cr. also Problem 62.
168 One-Body Problems without Spin. Potentials of Spherical Symmetry
Here nr may be called the radial quantum number. The energy levels
start with a zero-point energy of 111w corresponding to the three degrees
of freedom of the problem and are equidistant, as with the linear oscil-
lator:
Ell = IIw(n +!) (65.10)
with
n=2nr+l. (65.11)
Gathering the results from (65.6), (65.8) and (65.9a), the complete eigen-
functions may be written
(65.12)
NB. This problem should be compared with that of the circular oscillator,
Problem 42.
(66.1)
with
Problem 66. Degeneracy of the spherical oscillator 169
(66.3)
(66.9)
170 One-Body Problems without Spin. Potentials of Spherical Symmetry
Each product f g h has the same exponential factor which we omit when
comparing the functions. Since n 1 ::s;; 4, according to (66.4 a, b) the first
parameter (n) of the confluent series cannot exceed 2. The same, of
course, holds for the confluent series in g(y) and h(z). So there will
occur only the polynomials
1F1(0,!;A.X2) =1, x 1F1(0,i;A.X2) =X, }
1F1 (-I,!; A.x2)=I-2A.x2, x 1F1 (-1, i; A.X )=x(1-!A.X ), (66.10)
2 2
1F1 (-2, t; A.x2)=1-4A.x2+~A.2 X4.
There are 15 different ways of decomposing 4 according to (66.8)
into three integers, as is shown in the following table. Since in the
polynomial (66.9) to be represented there occur only even powers of
x, y, z, the nine rectangular product functions in which odd powers
occur (Le. those where at least one of the three numbers n 1, n2, n3 is
odd) cannot contribute to the required linear combination. The last
column gives the factors by which each rectangular function has to be
multiplied in order that their sum may equal the polynomial (66.9).
Since we have only six terms to add, but ten terms in (66.9) to explain,
there remain four controls for corroborating the identity.
0 0 4 1-4A.z2+tA.2z4 -6/28A.
0 1 3 yz(l-jh2) 0
0 2 2 (l_2A.y2)(l_2A.z2) -1/28A.
0 3 1 yz(l-jA.y2) 0
0 4 0 1-4A.y2+tA.2y4 + 3/28 A.
1 0 3 xz(1-jAz2) 0
1 2 xy(I-2A.r) 0
1 2 1 xz(1-2A.y2) 0
1 3 0 xy(l-jA.y2) 0
2 0 2 (1-2h2)(1-2A.z2) -1/28A
2 1 1 yz(I-2h2) 0
2 2 0 (1-2h 2)(1-2A.y2) +2/28 A
3 0 1 xz(l-jh2) 0
3 1 0 xy(l-jh2) 0
4 0 0 1-4Ax2+tA2 X4 + 3/28 A
NB. Compare with the degeneracy of the circular oscillator, Problem 42.
Problem 67. Kepler problem 171
Jxr(r)dr= 1. (67.4)
o
We therefore put
f = 1 Fl (I + 1 - x, 21 + 2; z) (67.8)
15 For 1=0 the ,-I solution too could be normalized. The kinetic energy
integral, however, would not exist so that it can be excluded. Cf. Problem 62.
172 One-Body Problems without Spin. Potentials of Spherical Symmetry
0.5
0.4
0.3
0.2 x&
n Symbol XI,nr(r)
o o Is
2 o 2s
o 2p
3 o 2 3s
3p
2 o 3d
174 One-Body Problems without Spin_ Potentials of Spherical Symmetry
n Symbol Xl ....(r)
1,..J. 1 2 r2 - -1Z3
-i, (1--Zr+-Z
3 r3)
4 o 3 4s -Lzre
4 4 8 192
2 4p
2 4d
3 o 4f
m YI .... (.9,lp)
1
0 0
V4,t
0 yi;COS.9
Vi sin.gei.
Vi; e
1 8n
2 0 2
4n 2 cos .9 - 2 ) ~
1 V* --sm.9cos.ge -'.
1V* -
8n
2 - 2 2-'.
-sm.ge
2 8n
3 0 "411R
-;- (5 cos 3 .9 - 3cos.9)
2 1W]-
-
4
-sm2.9cos.ge2'.
2n
-
3 -8
1W-3
+- -sm.ge
n
3"'.
Problem 68. Hulthen potential 175
(68.2 b)
with a. > 0 and P> O. The radial differential equation for x(r) = "/I(r)
may then be written
x
cPX + ( -a. 2 +P2 -
-. e--) X=O. (68.3)
dx2 l-e-
x
By the transformation
y=e- X (68.4)
the coefficient functions become rational,
cP+
Y2 - X y-
dx+ ( -a. 2 +P2 - Y ) X=o. (68.5)
dy2 dy l-y
This equation is to be solved with the boundary conditions
X=O at y=O (r-Ho); (68.6 a)
X=O at y= 1 (r=O). (68.6 b)
The solution is found by putting
X = yel(l_ y)w(y) (68.7)
which transforms (68.5) into the hypergeometric equation
y(l- y)w" + [(2 a. + 1)-(2a.+ 3)y] Wi -(2a.+ 1- P2)w=0 (68.8)
the complete solution of which runs as follows:
w(y) = A 2Fl (a. + 1+y,a.+ l-y,2a.+ l;y)
+ By-2e1 2Fl (-a.+ 1 +y, -a.+ l-y, -2a.+ 1 ;y) (68.9)
with y = Va. 2 + p2
176 One-Body Problems without Spin. Potentials of Spherical Symmetry
The first boundary condition, (68.6 a), with tX>O leads to B=O.
The second boundary condition, (68.6b1 requires closer investigation
of the vicinity of y = 1. This can easily be performed by using the identity
2F1 (tX+ 1 +y,tX+ l-y, 2tX' + 1 ;y)
r(2tX' + 1)r(e-l)
= 2F1(tX+ 1 +y,tX+ l-y,2tX' + 1; l-y)
r(tX-y+ e)r(tX+ y+ e)
r(2tX' + l)r(1- e)
+(1-y).-1 r(tX+ 1+y)r(tX+ l-y) 2F1 (tX-y+e. tX+y+e. e; 1- y)
r(2tX+ 1) 1. r(e-l)
---1m ,
r(tX+y) ..... 0 r(tX-y+e)
(68.11)
CouIlXTlb
r 3 2 1 1 2 n=5 3 r
a n=.'? n=~
a
-....... n=4
n=3
/,
~~ 2
\ 3
n=1-7
n=1
8
Fig. 39. Comparison of Coulomb potential and Hultben potential with the same
singularity. Note the shift of energy levels
178 One-Body Problems without Spin. Potentials of Spherical Symmetry
example {32 = 30, the Coulomb potential being drawn on the left, the
Hulthen potential on the right-hand side. The energy levels are shown;
they always lie lower in the Coulomb case than in the Hulthen case
where there remains only space for a finite number, in our example
for five levels.
Vex)
O~+-4----2~--~3----4~-X=-il-r
Solution. The motion of the light atom of mass m satisfies the Schro-
dinger equation
V2 U + - 2 1 -a)J
2m[E + 2D (a-r - -2r2 2
U= 0 (69.2)
11
Problem 69. Kratzer's molecular potential 179
(69.5)
and may exclude the other (with negative sign of the radical). As A> 1,
the wave function vanishes at r=O, corresponding to the strong re-
pulsion between the two atoms (Fig. 40). Therefore, it is reasonable
to set
X,{r) = x"e- Px f(x). (69.7)
(69.9)
Let us now discuss, separately, the two cases of negative and positive
energies.
180 One-Body Problems without Spin. Potentials of Spherical Symmetry
y2
.il-j=-v; v=0,1,2, .... (69.11)
This relation selects discrete eigenvalues Pand leads thus to the energy
levels
OJ = V 2D .
ma 2
(69.15)
3h3 1 1 2
- -2-(V+I)(I+I) .... (69.17)
28 OJ
Problem 69. Kratzer's molecular potential 181
The first term is a constant not directly revealed by spectral line fre-
quencies but, however, to be computed from them. The second des-
cribes harmonic vibrations with v the vibrational quantum number.
The third term describes rotations with constant moment of inertia,
except for another constant term because (I +t)2 = /(1 + 1)+}. The
fourth term lowers the vibrational levels in consequence of the an-
harmonicity of the potential. The fifth term performs coupling between
vibrations and rotations, again caused by the anharmonicity. Of course,
this expansion will become worse the higher the quantum numbers,
especially v, and cannot be used to the point of dissociation (v-+ 00 )
where, however, the model breaks down in any case because of its
rather unphysical behaviour at very large and very small r.
Finally, the energy of dissociation of the molecule follows from
(69.17) with v=O, 1=0 to be
(69.18)
This wave function again vanishes at r=O. Its asymptotics may be de-
termined from the well-known formula
. r(c) r(c)
F (a C'z)
1 1 , ,
-+ e- I7ta
r(c-a)
z-a + --e'z"--
rca)
holding for the whole complex z plane cut along the positive imagin-
ary axis. Applying this formula to (69.19), a somewhat lengthy com-
putation leads to
y2
Xl-+ Cl cos ( kr + -10g2kr - - - '11
An)(69.20)
ka 2
with a phase angle '1/ following from
e2im =
r(A+i ~:)
---,----c- (69.21)
r( A-i ~:)
and a (not very interesting) normalization factor C/.
182 One-Body Problems without Spin. Potentials of Spherical Symmetry
Molecule D
eV
4
t2
V (r) 0 1----+---,r--"""---r2----=~r/ro
-2
-4
Fig. 41. Morse potential for ReI. Broken line: osculating parabola
,= 2y
a
(70.6)
184 One-Body Problems without Spin. Potentials of Spherical Symmetry
2'"
Y Xo +Y Xo +( -
a2
l'
(X2 + -;Y y -
1)
4y2 Xo = o.
c=2-
P+ 1; a=-c--,
1 Y
(70.7)
(X 2 (X
the differential equation for F(y) will turn out to be Kummer's standard
form of the confluent hypergeometric one so that the complete solution
of (70.5) becomes
Xo= y/l/Cle-h {A11F1 (a, c;y)+ A 2y 1-C 1F1 (a- c+ 1, 2 - c;y)}. (70.8)
(70.9)
y IX C Yo yo/C G
depend upon /3, i.e. upon the energy eigenvalue which we have not yet
determined. We know, however, that
-D<E<O or 0</3<}', (70.11)
because the energy must be negative in a bound state and cannot lie
below the potential minimum. This limits the parameters a and c to the
intervals
1<c< 1 +( and -t(1-0<a<t. (70.12)
As the table shows, ( throughout remains much smaller than Yo even in
the most unfavourable case of the hydrogen molecule. We are thus
fully entitled to use the asymptotic expansion holding for real Yo:
. r(c) r(c)
IF1(a, c;yo)=e-ll,a r(c_a/oa + r(a) eYOyo-C =0. (70.13)
or
(70.14)
Now, a + (> -t(1 + 0> t. According to the table above, ( even for
hydrogen is so large that a+(> 17.95. We therefore can apply the
Stirling formula to r(t(1 + m
and find
with (70.15)
G=t(log H(1 + m-t(1 + 0 + (ell-IX -log (),
a quantity which can be computed independently of any further knowl-
edge of the eigenvalues and has been given in the last column of the
table. Even in the most unfavourable case of hydrogen, this gives
lr(a)1 > 675. In all cases therefore W(a)1 is very large and close to
one ofthe singularities ofthe r function (since a<t) at negative integers,
a= -v; v=O, 1,2,3, ... (70.16)
186 One-Body Problems without Spin. Potentials of Spherical Symmetry
_ p2 = _y2 +2ya:(v+i)-a:2(v+i)2
h2
E(v)= -D + - - 2 {2a:y(v+i)-a: 2(v+i)2}. (70.18)
2Mro
The first two terms of this formula are in complete agreement with the
harmonic oscillator formula (70.3) since
h2
--2 2a:y=hw.
2Mro
The last term reflects the anharmonicity correction. If the formula is
written
the condition (70.17) shows that the anharmonic can never exceed the
harmonic term.
Literature. This potential was first used by Morse, P. M.: Phys. Rev. 34, 57
(1929). - See also end of next problem.
The two expressions (71.3) and (71.4) deviate only in the order x 3 , since
expansion of (71.4) yields the series
_ /(/+1)
V' = --D{1-2x+3x2 -(3a:-ja:2)X 3 + ... }.
y2
With the potential V' instead of the true centrifugal potential V',
the Schrodinger radial equation for 1=1= 0 becomes
~ 1~ 1'i
a = -c -- (71.9)
2 ex. 1'2
and find the solution
XI = yi'l/e- h lFl (ii, c; y) (71.10)
leading to the equation of eigenvalue determination
lFl (ii, c;Yo)=O with Yo= '2 e. (71.11)
All qualitative considerations of the approximate treatment of the last
equation remain valid since the constants ii and c differ from a and c
only by slight corrections. Hence
ii=-v; v=0,1,2,3, ... (71.12)
and, according to (71.9),
E= ~{_1'2+2ex.1'(V+t)-ex.2(V+t)2
2Mro
3(ex.-l) 9(ex.-l)2}
+1(1+ 1) - (v+t)l(/+ 1) - 4 2 [2(/+ 1)2 . (71.14)
ex. l' 4ex. l'
Problem 72. Yukawa potential hole 189
The terms in the first line of this formula are exactly the same as those
derived in the preceding problem: potential depth (-D), harmonic and
anharmonic vibration terms. The second line comprises the three
additional terms: the rotational energy at fixed distance ro, a coupling
term of rotation and vibration which is negative because at higher
vibrational quantum numbers the average nuclear distance increases
beyond ro in consequence of the anharmonicity, and a final term, neg-
ative as well, because larger rotational quantum numbers lead to an
enlargement of the average distance even independently of vibrations.
NB. A generalization of the Morse potential and its practical application to
the vibrations of diatomic molecules has been discussed by Fliigge, S., Walger, P.,
Weiguny, A., in: J. Molec. Spectrosc.23 , 243 (1967).
That leads to
(72.3)
Then, the energy E can be calculated as the sum of the two integrals,
112
Ekin = 2m*
f ao
(d X)2
dr dr ; f
ao
e
-ria
Epo\= - Vo dr--x.
ria
2
(72.4)
o o
190 One-Body Problems without Spin. Potentials of Spherical Symmetry
(72.5)
2m*a 2
2aa.=p; - - v0 =K
112 (72.6)
the first of which gives the ratio of the average radii of potential hole
and wave function, whereas the other is a measure for the hole size.
Eq. (72.5) then may be written
(72.7)
2(1 +p)2
(1 +p)3
K=--- (72.8)
p(p+3)
Putting (72.8) into (72.7), the optimum energy value turns out to be
(72.9)
p K -EIVo p K -EIVo
NB. This approximation is rather good. Replacing the trial function (72.1) by
the less favourable function
x'=C'r2 e-r; C'2=4a;2
the same procedure as before leads to
Bound states then obviously can exist only for p> 3, i.e. for K>(4t= 3.16.
Vo = - -
Ze 2
throughout;
r
(73.3)
with uo(r) the wave function and Eo the energy of the ground state in
the Kepler problem (see Problem 67). The perturbation potential then
is the difference
0 for r>R,
{
V - Vo = Z e2 r2 3 R (73.4)
- ( -
R 2R2
- -
2
+ -)
r
for r<R.
192 One-Body Problems without Spin. Potentials of Spherical Symmetry
(73.5)
The total shift, ..1E for A=203, according to (73.1) and (73.6) turns out
to be
(73.8)
The isotope shift, i. e. the difference between theA E values for A = 203
and A +..1 A = 205, is obtained by differentiation:
d..1E dR 2 ..1A
S = --..1A = - -..1E.
dR dA 3 A
This leads, for the present example, to
(73.9)
(74.1)
h2
at = --2 = 5.29 X lO-9 cm;
me
m - = -E1
Jl.
at = -a 1 =2.56 x lO-11 cm ; El =5.63keV. (74.2)
Jl. m
In the unperturbed state (point nucleus) the average radius is adZ for
the electronic and adZ for the muonic orbital, i.e. in the respective
units, l/Z = 1.236 x 10- 2 in both cases. On the other hand, the nuclear
radius of R = 7.05 x lO - 13 cm becomes 1.33 x lO - 4 in electronic, and
2.75 x lO-2 in muonic units. Whereas the electron orbital thus has a
radius about 100 times larger than the nuclear radius, the muon orbital
radius is running to about t of it. The muon hence will stay mainly within,
and the electron outside the nucleus, the muon wave function being
determined by the oscillator potential inside, the electron wave function
(as in the perturbation procedure of the last problem) by the Coulomb
potential outside.
The geometrical situation is reflected by the energy values. The
ratio L1E/IEol=~Z2(R/a1)2=0.935 x lO-4 of Eq. (73.8) for the electron
would have to be replaced by ~ Z2(R/a t )2 = 3.98 for the muon, so that
the "perturbation" of the energy would no longer be small compared
to its unperturbed value, but much larger.
b) Inside the nucleus, there holds the oscillator potential
(74.3)
194 One-Body Problems without Spin. Potentials of Spherical Symmetry
(74.4 a)
with
(74.4 b)
(74.5)
On the other hand, for large values of r, the actual potential tends to
zero instead of becoming infmitely large as (74.3~ so that the correct
wave function becomes dominated by a factor
e -xr th
Wi 'X
2
=2plEI
-- (74.6)
tl2
decreasing much more slowly than (74.4 b). Expansion of the trial
function (74.1) now yields
U=C(l - ~ r2+ .. J
comparison with (74.5) making it probable that some value of a. 2 in
the neighbourhood of pw/tl might be expected. On the other hand, in-
stead of (74.6) we have an asymptotic behaviour as e- IIF in the trial
function. This certainly lies closer to the actual wave function than
(74.4a~ but is a reasonable approximation only if a.~'X.
In muonic units we obtain w = 1.98 x 103 and Eo = -1.46 x 103
from (74.4b,c~ hence, according to (74.6~.,,=.S4. If, in order to make
the functions (74.4a) and (74.1) identicruat small values of .r, we put
a. 2 = pw/h, we fmd-in these units-a. = VW
= 44.5. This is not so very
far from 'X=54. The trial function (74.1) therefore can be expected to
be a fair approximation to reality.
It may be noted that the optimum value of a,2 derived below turns out to be
a,~64 and ,,~60.
Problem 74. Muonic atom ground state 195
(74.8)
E
pot
= 41t f
R
(r2 ) f
00
drr 2 u2 -Z - - 3 - 41t dr r2 u2 -Z
2R R2 r
o R
E= -2.23 MeV
as determined by experiment. The relation between A and a leading to
this value of E shall be found in the neighbourhood of a=2fm (1 fm
= 10- 13 cm). To find this relation, three methods shall be applied:
a) exact solution of the Schrodinger equation,
b) approximation by use of a wave function
-filx2 + -(E+Ae-r/,x=O
2m*
(75.3)
dr 112
(75.4)
Problem 75. Central-force model of deuteron 197
leads to
tPx +~ dX + (C 2 _ q2)X=0 (75.5)
dy2 Y dy y2
with the abbreviations
(75.6)
q a c A
J
4n drr 2 u(r)2 = 1;
o
one finds
C= V 3q .
2na
(75.12)
We now determine the expectation value of the energy with this wave
function by using the Schrodinger variational principle (cf. Problem 2):
fdrr2L~*
00
-
The evaluation of (75.13) with (75.l1) is elementary and yields
q 2 q q
Taking e.g. the numerical values a= 2.18 fm and A = 32.7 MeV, ob-
tained above, we find E= -2.18 MeV. If, on the other hand, the correct
value, E= -2.23 MeV, is to be found from (75.14), with q= 1 and
a=2.18, a value of ..4=33.5 MeV has to be chosen. Thus, either for the
correct potential depth A the eigenvalue lies too high by about 2.5 %
or the correct eigenvalue requires a somewhat larger value ..4 of the
potential depth.
Problem 75. Central-force model of deuteron 199
or
(75.17)
0.3
t 0.21---~rl---_t----+--I
ua 3/2
O.II-------lr--~~----+--I
o~---~~--~---~~
2 3
r/a-
Fig. 42. Exact wave function and two approximations for a central-force deuteron
model
200 One-Body Problems without Spin. Potentials of Spherical Symmetry
f(k) = ~ ftPxe-ihu(r)
(2n)l"
(76.2)
(76.5)
Problem 76. Momentum space wave functions for central force potentials 201
Setting (76.5) into (76.4), and the result and (76.3) into (76.2), we get
f f
00
4n drr 2
f(k) = -:-:--:-T
(2n)"Y
dQ. ~ I._J);.(kr)
t
* X,
- - Y.l. .. (8,tP)Y;. .. (.9,cp)- Yi m(.9,cp)
kr'~ ,~ r'
o
yri- f
00
i.e. the momentum space function, f(k), may be factorized in the form
1
f(k) = k g,(k) Yi,m( 8, tP) (76.6)
with
W;-I f
00
The radial parts g,(k) and ;-1 x,(r) therefore stand in the mutual relation
of a Hankel integral transform, the inversion of (76.7) being
Wf
00
JdrlXI(rW = 1, (76.9)
o
we find by putting (76.8) into (76.9):
ff
00 00 00
~ f
dr dk dk'j,(kr)g,(k)j,(k' r) gf(k') = 1.
o 0 0
202 One-Body Problems without Spin. Potentials of Spherical Symmetry
f I
00
fdklg,(kW = 1, (76.11)
o
i.e. the same probability interpretation holds in momentum space: in
the quantum state under consideration the particle will be found with
the absolute value of momentum between k and k + dk with a prob-
ability Igl(kW dk.
The special integral equation for g,(k) shall then be derived for the
hydrogen atom.
Solution. The integral equation (14.6), written in atomic units,
(tk 2 -E)f(k)= - f d 3 k' W(k-k')f(k') (77.2)
with
W(k) = -1-fd3xe-;,,rv(r) (77.3)
8 x3
shall be reduced to a radial equation for g,(k) if V(r) depends on the
absolute value r only of the vector r. In that case, (77.3) may be inte-
grated over the solid angle, the result depending only upon the absolute
value of the vector k: 00
W(k) =
4x
-3
f drr 2
sin kr
V(r)--. (77.4)
8x kr
o
The kernel of the integral equation then becomes a function of
(k-k')2 =k 2 +k'2 -2kk' cosy (77.5)
Problem 77. Momentum space integral equation for central force potentials 203
where y is the angle between the vectors k and k'. The function W may
then be expanded into a series of Legendre polynomials,
00
whose coefficients all depend on the absolute values k and k' only. This
is the essential point leading to possible factorization.
Using (77.1) for f(k), the integral equation (77.2) now becomes
1 2 1
hk -E)kgl(k) Y"m(B,<P)
00
= - ~ f dk' k'2 an(k, k') ~ gl(k') fda P"(cos 1') Y1,m( B', <P').
o
The angular integral can be evaluated using the addition theorem
41t n
P"(cos1') = - - L :,,,(B',<P') YII,,,<B,<P)
2n+1 ,,=-n
which reduces the sums to one term only with n=l, JI.=m:
00
17 The Fourier transform (77 .3) of the potential is essentially the Born amplitude
the convergence of which is limited by Coulomb behaviour at large values of r.
Cf. Problem 105.
204 One-Body Problems without Spin. Potentials of Spherical Symmetry
so that we find
1
W(k)= - 2n2k2' (77.9)
- = (77.l1)
z-t ,,=0
f
where the coefficients
+1
1 dtP,,(t)
Q,,(z)="2 ~ (77.l2)
-1
1 (k 2+k'2) (77.13)
aik,k')= - 4n 2kk' (2n+ l)Q" 2kk' P"(cosy),
f
<Xl
(!k 2 -E)gl(k) = ~ 2
dk'Qe:::: )g,(k'), (77.14)
o
literature. The integral equation (77.14) was solved by Fock, V.: Z. Physik 98,
145 (1935). This way means determination of the momentum space eigenfunctions
without any recourse to coordinate space functions. The latter way, however,
proves simpler for the Coulomb field and shall be given in the following problem.
To determine the momentum space wave functions for the lowest levels
(1 s, 2s, 2p) of the hydrogen atom.
Solution. Since in Problem 76 we have shown that, in a central field,
a factorized coordinate wave function
1
u(r) = - X/(r) Y11II (8,qJ)
r
(78.1)
Problem 78. Momentum space wave functions for hydrogen 205
(78.2)
we have only to determine the radial part gl(k) which follows from a
Hankel transform of Xl(r):
(78.3)
00
. -
g21= - 1 1-
V12n
f
00
---coskr) e-~ .
drr 2 (sinkr
kr
o
32 k(1-4k2)
g2o(k) = Vn (1 + 4P)3 ; (78.4b)
128 k2
g21 (k) = - i V3n (1 + 4k2)3 . (78.4c)
206 One-Body Problems without Spin. Potentials of Spherical Symmetry
(79.1)
with eigenvalues
h2 /(/+1)
E,= . (79.2)
28
The perturbation energy for an electrical field 4 applied in arbitrary
direction is
V= -p("x sin 8 cos lp +"y sin 8 sin lp +"z cos 8). (79.3)
sin 8 eiQl Yi .... = a, .... YI+1 .... +1 -a,-1.- ... -1 Y'-1 .... +1'
sin8e- iQl Yi .... = -a,. - ... YI+ 1 .... -1 +a,-1 .... -1 Y'-1 .... -1' (79.5)
cos 8 Y, .... = b, .... Yi+1 .... + b'-1 .... Y'-1 ....
with the abbreviations
18 o. e.g. Bethe, H.A., Salpeter, E.E., p. 432, in: Encyclopedia of Physics, vol.
35. Berlin-Gottingen-Heidelberg: Springer 1957.
Problem 79. Stark effect of a three-dimensional rotator 207
L1 E _ 2 2){~ C2 C2 [ a~m+a~-m
2 I.m-P h2 4 ( x+ y) /(1+1)-(/+1)(1+2)
This formula does not hold for 1= O. This is obvious, as the eigen-
function Yo. o does not distinguish any direction, so that the perturba-
tion should simply become proportional to C 2 An analogous calculation
208 One-Body Problems without Spin. Potentials of Spherical Symmetry
to the one above shows that then, of the six matrix elements (79.7), only
the three elements (1,m'1V10,0) with m'= +1,0, -1 difTer from zero.
The final result becomes
(79.12)
Literature. Meyenn, K. von: Z. Physik: 231, 154 (1970) where even high field-
strengths are discussed and the limits of validity of the second-order perturbation
theory have been shown.
Sr =
lik (
-;;;N If12)
cos8 + 7
Ii { eik(r-z) eilc(Z-r)}
+ -. N f[kr(1+cos8)+i]-2- + f*[kr(1+cos8)-i]-2- ;
2m r r
Problem 80. Interference of incident and scattered waves 209
lik .
Ss= --Nsm8
m
Ii { eii:(r-zl eik(Z-rl }
+ -.N (f'-ikrsin8f)--2--(f*'+ikrsin8f*)-2-
2ml r r
Ii
+ -.-N(f'f*- ff*')
2mzr 3
Here the prime denotes differentiation with respect to 8. Since the for-
mulae will hold only asymptotically for kr-+oo, we may neglect the
last term, proportional to r- 3 , as compared to the scattered intensity,
proportional to r- 2 In the curly brackets of the interference terms the
members with kr are the only ones to be taken along. Thus for further
discussion there remain the simpler expressions,
Sr
lik { cos8 + -Ifl2 + 1 +cos.9.
= -N .}
(fe,k(r-Zl + f*e,k(z-r l) ;
m r2 2r
Ss = -
m
sin 8
likN { -sin8 - --(fe,
2r
l
.. r-z + f*e,'L(.. z-r) .
'L( l} (80.3)
particles per second will pass and be counted. If this current is divided
by the plane wave current density -of (liklm) N particles per second
and cm2, a quantity
section of scattering into the solid angle 00. The total scattering cross
section is derived herefrom,
(SO.6)
The argument
k(r-z) = kr(1-cos9)
2 2mE
k =- (S1.2)
112
Problem 81. Partial wave expansion of plane wave 211
(81.4)
f
+1
P,( 1)=( 1t
Thus we get,
+1
f dteiler!p,(t)-+~(eiler-(-1te-iler)=i'~sin(kr
lkr kr
_In).
2
(81.9)
-1
Yio=
, ~
--P,
4n
/+1
(81.12)
f
+1
Such integral representations are often found by the method applied to our special
problem.
Problem 82. Partial wave expansion of scattering amplitude 213
hi A.
p~-=I
mv 2n
with A. the de Broglie wavelength and p a rough measure of the distance at which
a particle of the quantum number I passes the coordinate origin.
Such a discussion of one expansion term singled out from the whole series is,
of course, incorrect insofar as observables cannot but be attained by bilinearly
combining u and u (or their derivatives), thus necessarily originating interference
terms. It is in the limit of large I only that a single partial wave may be interpreted
in the classical particle picture, because the very high spherical harmonics produce
rapidly oscillating and thus quenching interference terms, even when averaged
over narrow angular intervals.
NB 3. Let the plane wave propagate not in z direction, but in any other direc-
tion k defined by polar angles e, (I. If 8' denotes the angle between the vectors k
and r, we have, according to (81.13),
(81.15)
(81.16)
Inside the sphere r=R there may be given a potential V(r); outside
the sphere the potential may vanish. A beam of particles, described by
a plane wave, is scattered at this potential field. The scattering amplitude
shall be computed by expansion into a series of partial waves and shall
then be expressed in terms of their logarithmic derivatives on the sphere
r=R.
214 One-Body Problems without Spin. Potentials of Spherical Symmetry
X/ +
I [2k -
1(1 + 1) 2 m
---;:z- - h2 V(r)] XI = 0; (82.2)
L- ( - XI)
d log- (82.3)
1- dlogr r=R
Were all tXl = 0, this would be the plane wave of Problem 81; the terms
proportional to spherical Hankel functions of the first kind represent
additional outgoing spherical waves, since
(82.5 a)
(82.7)
in other words, that
(82.8)
Problem 82. Partial wave expansion of scattering amplitude 215
u --+ -
1 L (2/+ 1)re
to
i '" sin (In)
kr - - + b Pr(cos.9)
l (82.9)
kr 1=0 2
eikr
u. == u_e ikz --+ f(.9)-; (82.10)
r
hence
1
L (2/+ 1)cxIPr(cos.9)
to
f(.9) = - . (82.11 a)
21k 1=0
It remains to express the coefficients CXI not only by the phase shifts
bl , but by the logarithmic derivatives L I, Eq. (82.3). This can be done
with the help of the continuity of both XI and dxddr when passing
through the sphere r = R, viz.
XI(k,R) = jl(kR)+tcxlhP1(kR);
dX,(k,R) = klJ~(kR)+!cxlhPl'(kR)].
dr
(82.12 a)
or inversely,
Ld,(x)-xJ~(X)
(82.12 b)
CXI= -2 LlhP1(x)-xhP1'(x)'
(82.13)
216 One-Body Problems without Spin. Potentials of Spherical Symmetry
thus introducing the spherical Hankel function of the second kind which
for real argument is the complex conjugate of hP)(x) so that in
1 a __ L, hI 2)(x) - x hl 2V (x)
+ ,- L,hl1)(x)-xhPV(x) (82.14)
[ ~
j,=A,x'+l 1 - 2(21+3) + 8(21+3)(21+5) ... ;
~ ]
(83.2 b)
X2 X4 ]
n - B x-, [ 1 ...
,- - , + 2(21-1) + 8(21-1)(2/-3)
with
2'1! (21)!
B
, - -2't!
-. (83.2c)
A,= (2/+ I)!;
If x~ 1, the first term in each series is sufficient; we then have j,~ In, I
and hP)~in" and therefore
Ld,- xJ~ ~ (L,-I-l )A, x' + 1 ; i(L, hPj - x hPj') ~ - i(L, + I)B,x-'
so that from (83.1), making use of (83.2c), we get
In this formula only the leading term has been computed, all higher
powers in x having been neglected.
The scattering amplitude is
1 co
f(9) = - .
2lk
L (21+ 1)IXIP'(cos9);
1=0
(83.4)
(i) .
series (83.2 b). The same result is however arrived at much faster by
starting from the special fun~tions
hb1)(X)= -ie'x ; h\l)(X)= - 1 + - elX (83.5 a)
x
and
hI2)(x) = hI 1)* (x) for real x. (83.5 b)
Using instead of (83.1) the equivalent Eq. (82.14) of the preceding prob-
lem,
1 IX __ L 1hI 2)(x)-xhI 2)'(x)
(83.6)
+ 1- L1hP)(x)-xW)'(x)'
we arrive at the exact expressions
Power expansion of these two expressions leads on, within the approxim-
ation wanted, to
(83.8 a)
and
(83.8 b)
218 One-Body Problems without Spin. Potentials of Spherical Symmetry
Given the potential V= Vo>O for r<R, and v=o for r>R. The
phase shift bo and the partial scattering cross section qo for 1=0 shall
be determined as functions of the energy of the incident particles.
Solution. Using the abbreviations
2 2mVo. 2 2mE.
Ko = --,;z-' k =7' (84.1)
the radial wave function for 1=0, xo(r), can be written as follows:
If the energy E is below threshold Vo,
Xo(r) =
A' sin ,,' r
{sin(kr+b for r < R} .f
1 E> Vo. (84.2 b)
o) for r>R
The normalization outside the potential sphere is the same in all cases,
the amplitUde constants A and A' therefore being a measure of how much
the interior of the sphere will be excited to vibrations. The boundary
condition, Xo(O)=O, has been taken care of in all expressions. Continuity
of XO and x'o at r=R imposes continuity on the logarithmic derivative
so that its value at r = R,
Lo=RX~(R)/Xo(R), (84.3)
can be formed from either of the two expressions for r<R or r>R.
Thus we get
Lo=kR cot(kR+bo)="R coth"R if E< Vo (84.4 a)
and
Lo=kR cot(kR+b o)='" Rcot,,' R if E> Vo. (84.4 b)
Problem 84. Scattering by a constant repulsive potential 219
Only in the latter case is there a periodic solution in the interior whose
amplitude is of some interest:
1
A'2 = _ _ _ _---,:--_ __
12
(84.5)
2
sm x'R + k2 cos
X 2
xR
I
-0.5 \
-1
(~ \[2) ~
p;:
)f'
,\\
,.-
6
t -1.5
/'
_x./
\ 1\ -
f
0
-2
-2.5
1\'i'\. ...x/J
-3
2
\ " 3 4=KoR5 6 7 8 9 10
kR-
Fig. 43. Phase shift ho as a function of kR. The straight line (1) holds for a hard
sphere (Ko R = (0), curve (2) for Ko R = 4. The broken line has been computed in
first Born approximation. Resonances (amplitude maxima) marked by circles,
minima of amplitude by crosses
220 One-Body Problems without Spin. Potentials of Spherical Symmetry
for the numerical example KoR=4. Even the start of this curve at
kR = 0 shows that for a finite potential height the inclination of the
phase curve differs from that of the hard sphere curve. This is a char-
acteristic trait of quantum mechanics where the wave penetrates into
the potential sphere even at energies below threshold, the penetration
depth depending upon the potential height. In classical mechanics,
where no such penetration would be possible, the scattering phenomenon
below threshold could not show any effect of the potential height.
If the energy E (or the parameter kR) increases to values above
threshold, curve (2) reaches a minimum of c5 o, and then begins to rise
again towards zero over a sequence of steps. At highest energies (k R -+ <Xl)
the limit must, of course, be c5 0 = 0 again since for E ~ Vo the potential
hill becomes quite an unimportant obstacle. The cause of the formation
of steps may be elucidated by a computation of the amplitudes A',
Eq. (84.5), of the interior. In Fig. 44a these amplitudes have been drawn
for our example Ko R = 4. There are values of k R, i. e. of wavelengths
1.6
f 1.5
A,~4Hr~-r+-~----~---+----+----+---
1.3
1.2 H--+--r--;-~---~=--+----+----+---
BI-b)
,
6
4
\ \
f -<. r-...... \ \
Lo 0
-2
-4
\5 6\ 7 \
B \~ 10 kR
-6
-8 \ \
-10
-12 \
Fig. 44a and h. a) Amplitudes A' of wave function inside the scattering obstacle
(KoR=4) at different energies, showing resonances. b) The logarithmic derivative
Lo of the wave function shows singularities at resonance energies
Problem 84. Scattering by a constant repulsive potential 221
of the steady particle beam exciting the interior of the potential sphere
to vibrations, at which A' is maximum. Wavelength bands therefore
exist in which the interior gets into resonance with the vibration impressed
upon it from outside. Between any two resonances there lies a minimum
amplitude A'=1 holding for cosx'R=O or at x' R=(n+!)1t.
Each of these minimum amplitudes coincides with a zero of Lo (as
drawn in Fig. 44b) so that the wave function, having horizontal tangent
at r = R, has the same amplitude inside and outside of the scattering
sphere. Between these energies there lie resonance energies in the neigh-
bourhood of x'R = n 1t or close to the singularities of L o, with the
wave function vanishing for r = R but passing this point without break
in the inclination of its tangent, thus in the interior with its longer wave-
length rising to the highest possible amplitude.
Now we know it to be a general principle of resonance phenomena
that on passing through a resonance there occurs a phase jump of 1t
(in the ideal case). This accounts for the amplitude minima (marked by
crosses on curve (2) of Fig. 43) between which a steep rise of phase
occurs when passing resonances (marked by circles on curve (2) of Fig. 43).
0.6 0.06
1 0.5
~= \
\
0.05
~
0;, 0.4 - 0.04
41CR 2 0.3 - \ "- 0.03
0.2 \ "'- 0.02
"-1'- j i'--
0.1
o 2 4 6 8
r-- r--
10
- 0.01
12
kR-
Fig. 45. Cross section (10 for 1=0 scattering as a function of kR, drawn on two
ditTerent scales. The contributions of higher values of 1 may only be neglected for
k R ~ 1. The resonance maximum above k R = 5 will therefore stand out much less
clearly in experiment
00 = - 2~ ..!.
h k
f
'"
o
drsin2krV(r),
-T f
R
K2 K2
150 = drsin 2kr= - 4k~(2kR-sin2kR). (84.9)
o
The phase shifts computed from this formula are shown as the broken line in Fig.
43. It is not to be expected that, for the rather large phase shifts in the energy region
shown, the Born approximation should give quantitatively satisfactory results. It
seems remarkable, however, that except for a shift in position of the resonances
the correct picture is roughly obtained even at these energies, including the forma-
tion of steps in the curve as a consequence of the sine term in the Born formula (84.9).
for energies below threshold (k 2 < K~, x real). The radial wave function,
Xo(r), then becomes
B sinKr for O~r<rl'
{
Xo(r) = A(sinhxr+ycoshxr) for rl~r<R, (85.3)
sin(kr+b o) for R~r.
""'-_ _...L- r
For energies above threshold, x becomes imaginary, x=ix' with real x'.
With this change, (85.2) and (85.3) may still be used. The problem differs
from the preceding one by the additional boundary condition at r=r 1
With r 1 =0 it therefore becomes identical with the former problem that
can formally be regained by y = 0 from (85.3).
We now have two conditions of continuity of the logarithmic de-
rivative of (85.3) at r = r 1 and r = R:
(85.4a)
l+ytanhxR
Lo(R) =xR h = kR cot(kR+t5 o) (85.4b)
tan xR+y
From (85.4a) y may be obtained and then 15 0 from (85.4b):
x
-tanKr l -tanhxr 1
K
y = -------- (85.5)
x
1 - -tanKrl tanhxr 1
K
15 0 =
{k
-kR+tan- 1 - ' tanhxR+Y} . (85.6)
x 1 +y tanhxR
Eq. (85.5) shows that with r 1 =0 we indeed find y=O, as surmised
above. For the practical purpose of numerical computation, it is more
224 One-Body Problems without Spin. Potentials of Spherical Symmetry
comfortable to put y from (85.5) into Eq. (85.6) which gives after some
elementary reordering:
tanh"(R-rl)+,,rl tanKr l }
<5 0 = -kR+tan-l { kR. Krl . (85.7)
"R tanKrl
l.+"r l --tanh,,(R-r l )
Krl
The phase shifts computed according to Eq. (85.7) for the numerical
example Klrl=1.5; K o(R-r l )=2; KoR=4 have been drawn in Fig.
0.4
0.2
O~------r---+-~~----~--~
-0.2
-0.4
-0.6 I---'~----r---f--~----~~~"-I
-O.B
-1~~~~--~--~-------+--~
!
6
-3~----~--~~~-------+--~
2 4
kR-
Fig. 47. Phase shifts ~o for 1=0 for anomalous scattering originated by a potential
hole inside the wall. They are compared with those without potential hole, So, as
determined in the preceding problem. The straight line obtains for a hard sphere
47 where they have been compared with those obtained in the preceding
problem (here denoted by go) and those of the hard sphere of radius R
(the straight line). There are no significant differences between <5 0 and go
at energies below kR~2; we may conclude that this shows that the
wave has not entered far enough into the interior of the scattering
Problem 86. Scattering resonances 225
f dri~
R+.
= x~(R+e)-x~(R-e) = ~ Xo(R)
R-.
226 One-Body Problems without Spin. Potentials of Spherical Symmetry
~ tan'X+(I+a':X)'.
(86.8)
A'
all other energies. The more penetrable the wall, the greater the damping
of this resonance phenomenon.
The resonances occur, if Q~ 1, at about energies where x=n1l:.
These are the energies at which Xo(R) = 0, i. e. of the eigenstates of the
cavity in the case where it is surrounded by an impenetrable wall.
Resonance levels of maximum coupling therefore lie at, or close to,
the eigenvalues of the cavity.
Numerical discussion has been performed for Q=4 and Q= 10.
For the smaller of the two values, Q=4, the phase shift is shown in
Fig. 48 as a function of x. At small energies the curve does not differ
kR-
2345678
O.---r--'--,,~-.---.-.~~~--~
t -0.5 ~~f---1-tH---+~"'-+I-t---+-~
6'0
-1.0
-1.5 '--__'---'L-....J=-.L.......1__---'__--'--"----'-__--'-__---'
Q=4
Fig. 48. Phase shifts 15 0 as a function of kR for a spherical cavity with D=4. The
larger D, the more pronounced the resonances become (cf. Fig. 49a)
very much from the straight line of the hard sphere, its initial tangent
inclination, however, being - Q/(1 + Q) = - 0.8 instead of -1 for the
hard sphere. The first zero of the denominator in (86.7) occurs at Xl =2.57,
the second at X 2 = 5.35; both have been marked in the figure by the
vertical broken lines. These resonance energies still lie appreciably left
of the values x=n1l: where the phase falls back to zero. For a larger
value of Q they draw nearer to x=n1l:, e.g. for Q= 10, where the first
resonance shifts to Xl = 2.86 and the second to X 2 = 5.76 (see Fig. 49 a).
The rise of the phase angle to zero then becomes steeper and the re-
sonance more pronounced. In the limit Q--- 00 we finally get a sharp
discontinuous jump of L1 15 0 = 11: at Xn = n 11:. This does not contradict
the linear law (86.9) for the hard sphere since 15 0 is only defined modulo 11:.
The resonance phenomena are investigated in still more detail for
the case Q= 10. In Fig. 49b the amplitude A, Eq. (86.8), is shown with
the two first pronounced resonance maxima lying at the X values marked
by the vertical broken lines in the phase shift diagram (Fig. 49a). From
228 One-Body Problems without Spin. Potentials of Spherical Symmetry
Fig. 49c it can be seen that the cross section has a small but not very
pronounced resonance peak, at least, at the first of these x values. On
both sides of each resonance there are two places where A = 1, viz. if
tan x
1+0--= +l. (86.10)
x -
f 0.8
\ 0.04 /1\
0'0 0.6 0.03 V \
4KR2
0.4 \ 0.02
\
'i
c
0.2
"1 V
023 4 5 6 7 8
kR-
4
fI.
I \'-.
)
"
/ I--
f.----'"
o 234 5 6 7 8
kR-
2345678
1\ i\ \
I
I
I
I
I
-0.5
\ \
I I
1\
I I
I I
I
a f -'.0
\
6
-'.5 ~ 1:
har~
I
I
I
I I
I
-2.0 sphere ."" I
.\1
I
I
I
I
I
-2.5
R=1O
Fig. 49 a-c. a) Phase shifts bo as in Fig. 48, but for a = 10. b) Amplitudes A show
pronounced resonances. c) Cross section for 1=0 (drawn on two different scales).
Even the pronounced resonance at kR = 2.86 causes only a rather small peak in the
cross section curve, even with higher angular momenta neglected
Problem 87. Contribution of higher angular momenta 229
The upper sign just leads to x = n n and thus to 15 0 = 0 and (To = O. This
is very understandable since the wave function inside the wall then
exactly agrees with the wave function without wall and hence no
scattered wave at all. The lower sign in (47.10) leads to the immediate
neighbourhood of minimum phase angles, the phase curve becoming
stationary at tan x 2
x
as can easily be found from d15o/dx=O, i.e. at x=2.616 and x=5.406
for Q= to, whereas (47.10) with the minus sign yields
tanx 2
x Q
with the solutions x=2.654 and x= 5.454 for Q= 10 lying very close
to the minimum positions.
The information conveyed by the cross section curve, Fig. 49c, is
rather scanty: The first resonance leads to a small peak only. Nothing can
be seen of the second resonance except the two zeros, far left and right
of it, from whose existence it may be deduced that somewhere between
them there might be a resonance, though of unknown position, height
and width. The results to be derived from an experimental cross section
curve may give even less information in consequence of the background
produced by the contribution of higher angular momenta, rising with
increasing x, and obscuring the zeros of the (To curve.
To calculate the phase shifts and partial scattering cross sections, for
the opaque cavity discussed in the preceding problem, up to 1=2.
Solution. The radial wave function for any I may be written
for r<R; (87.1 a)
X,(r) =jl(kr)cos15l-nl(kr) sin 15 1 for r>R. (87.1 b)
Since the spherical cylinder functions for k r>p I approach asymptoti-
cally
. ( kr -"2
jl(kr)-HlD In) ; nl(kr)-+ -cos(kr _I;).
Therefore, b, is the phase shift of the rth partial wave, yielding the
partial cross section,
(1, = 4n(21 + 1) sin 2 b, . (87.3)
-0.5
f
~ -1.0 a)
-1.5
-2.0
1.0
f 0.8
0.6
0;
b)
41CFl
0.4
0.2
0
2 3 4 5
kR-
Fig. 50a and b. Phase shifts (a) and cross sections (b) for the spherical cavity,
including higher angular momenta. The peak at k R = 2.86 still may be detected
Problem 88. Shape-independent approximation 231
il(X)2
tan b, = ---="':--'--- (87.6)
X
iz(x) nl(x) - U
these may then be put in (87.4) to obtain the amplitudes AI'
For 1=0, the spherical cylinder functions reduce to io(x)=sinx
and no(x)= -cosx. Eqs. (87.4) and (87.6) then lead back to the preced-
ing problem.
For the numerical example, U= 10, the phase curves up to x=5
are shown in Fig. 50 a for 1= 0, 1,2. They all depend upon x in a similar
way, the main difference for small values of x being that, the higher 1,
the more slowly they deviate from zero. Thus, only head-on collisions
with 1=0 contribute at low energies. From about X= 1 upwards, the
contributions of 1= 1 become appreciable, and from about x = 2 those
of 1= 2. The partial cross sections (Fig. 48 b) show small resonance
peaks for 1=0 and 1= 1; in the sum curve 0"=0"0+0"1 +0"2' however,
they form no more than small humps over a continuous background.
(The rather steep descent beyond x = 4 is deceptive; it would be largely
obliterated by the there rising contribution of 1= 3 omitted in the curve.)
1 1 2
kcotb o = - - + -rok
a 2
with the scattering length a and the effective range ro the only para-
meters depending upon the potential.
The consequence of the existence of such an expansion is, of course, that for
energies small enough to let these two first terms suffice (Le. as long as no effect of
1= 1 is observed) no experimental cross section curve, O'(E1 gives any more in-
formation than the two constants. This means that the shape of the potential
cannot be so determined. This is of special importance in low-energy nuclear
physics and is one of the reasons, to put it in a nutshell, for our quantitative igno-
rance of nuclear forces.
232 One-Body Problems without Spin. Potentials of Spherical Symmetry
Xo-U(r)xo=O (88.1 a)
and
(88.1 b)
with
2m
U(r) = hi" VCr),
and the boundary conditions
I I JdrxoX"
XO _ Xit = k2 ....::.0--,--------,._
Xo X" Xo(r) x,,(r)
Choosing as the upper limit of the integral any radius R> R o, we may
use the expressions (88.3) on the left-hand side and get
R
1 Jdr Xo(r)x,,(r)
- - - k cot(k R q.. bo) = k 2 0 (88.4)
R- a Xo(R) Xt(R)
cotbo-tankR
cot(kR+b o) =
1 +cotuo tankR
Problem 88. Shape-independent approximation 233
which makes Eq. (88.4) a linear equation in cotb o with the solution
Q+ktankR
kcotb o = - - - - - (88.5)
tankR
l-Q-k-
where
R
Jdr Xo(r) Xk(r)
1
Q= -- - k2 -'------
0
(88.6)
R- a Xo(R) Xk(R)
In Eqs. (88.5) and (88.6) so far nothing has yet been neglected.
We now start expanding in powers of k2 , first replacing the tangent
by its expansion,
1
Q = - - - k2 .Y{" (88.7)
R-a
with
R
Jdr Xo(r)2
.y{" = _o_ _-=-- (88.8)
XO(R)2
(88.10)
~(~ro) =
dR 2
0
ro
whatever the value of R if only above Ro. Hence, is independent of R.
To answer the second question let R> lal be chosen; then the first
term in (88.10) will be positive, the second, due to %>0, negative.
The range will turn out to be positive, therefore, if the first term out-
weighs the second, or if
(R-a)3+ a3
% < -----::--
3(R-af
This is identical with the condition
R R
JdrXo(r)2 < Jdr[C(r-a)]2=tC 2 {(R-a)3+ a3}
o 0
-'<.------r
a
Fig. 51 a and h. Wave function Xo(r) at zero energy and its asymptotic behaviour for
different signs of the scattering length a
Problem 89. Rectangular hole: Low-energy scattering 235
as can easily be seen comparing with (88.8). In the case a < 0 (Fig. 51 a)
this follows from XO everywhere being smaller than C(r-a); it holds
equally for a>O (Fig. 51b) if the point r=a is not too far away from
the zero of Xo(r).
NB. Because of
R
Jdr[C(r-a)J2=tC 2 {(R-a)3 +a 3}
o
the range formula (88.10) may be reshaped into the form
Here we have written infinity as the upper limit but, of course, q>(r) will be zero
beyond r=R o .
E~--~--~-----
k2
--.-....t......---_r
Fig. 52. Potential hole with energy notations, except for the common factor 2m!h2
~ LIe+kR tankR
cotvo = --=-------- (89.6)
kR-LIe tankR
kcot5 o = L" + k 2 R [ - -I - + L~ 2
] (89.7)
R(I-L,,) I-LA: 3(1-LA:)
It should be noted that Eqs. (89.6) and (89.7) still hold for any potential
shape only if it vanishes for r~R. Only, when in a second step we
now expand Lie, do we make any use of the special rectangular shape of
the hole. Let us from now on use the abbreviations
Xo=KoR; X =KR; x=kR; (89.8)
Problem 89. Rectangular hole: Low-energy scattering 237
L"
----'--- Lo { 1 +X2- ( 1 - -X5)}
--
R(I-Lk) - R(1-Lo) 2X5 Lo(I-Lo)
so that the fIrst term in (89.7) may be decomposed into the scattering
length contribution
1 Lo
(89.10)
a R(1-Lo)
and a contribution to the range correction term proportional to k2 In
the k 2 term in (89.7) we may replace L" by Lo in this approximation and
thus arrive at
1
- TO = - -R2 ' -Lo- ( 1 -
2 2Xo l-Lo
X5) + R - - +
Lo(1-Lo) l-Lo 3(I-Lo)
(1
L 52) .
~TO=R{-
2
_1_ + ~ __1_}.
2X51X 2 61X2
(89.13)
From (89.4) we yet have to construct the fInal expression of the scat-
tering length,
a=R ( 1 - ----x;
tanxo)
. (89.14)
238 One-Body Problems without Spin. Potentials of Spherical Symmetry
Eqs. (89.13) and (89.14) together with (89.1) then represent the complete
solution of the problem.
b) The general method of the preceding problem allows for no
other way of determining the scattering length than the use of Eq.
(89.4), leading directly to (89.14). There is, however, no longer any
necessity to introduce X" or L" if we start from the general expression
(88.10) which, with the abbreviation (89.11), becomes
1 {(I-
-ro=R
2
(X)3 + (X3
3(X2
(1- (X)2}
-$"---
(X2
(89.15)
with
R
Jdr Xo(r)2
$"=_o_~_
XO(R)2
The constant $" is to be calculated by elementary integration using
Xo(r), Eq. (89.2),
$"= R cotXo
. 2 (Xo-sinXocosXo) = - 1 - - R(
- + cot2
Xo)
2XoSlD Xo 2 Xo
or, since
tanXo =Xo(1-(X),
this may be reshaped into
Putting (89.16) into (89.15) we easily get again Eq. (89.13) for the effective
range.
1 1
k cot!5 o = - - + -rok2 + "', (90.1)
a 2
Problem 90. Low-energy scattering and bound state 239
cotc;o=i(~ + ~'Xro)
'Xa 2
(90.3)
1 1
1= - + -'Xro, (90.6)
'Xa 2
a condition which connects the bound-state quantity 'X with the scat-
tering parameters a and ro, and that may be used both ways.
1. Determination of binding energy from scattering data: Supposing
the last term in (90.6) to be simply a correction, this equation yields the
solution
1 ro
'Xa=1 + -- (90.7)
2 a
240 One-Body Problems without Spin. Potentials of Spherical Symmetry
1i2 ",2= _ _
E= _ _ 1i 2_ ( 1 +~
r ) .
(90.8)
2m 2ma2 a
Since here only ",2 occurs, it should be noted that, according to Eq.
(90.7~ a bound state can only exist for positive scattering length, within
the limits of this approximation.
2. Determination of scattering cross section from binding energy:
This can be performed less completely, as two parameters are needed
whereas the binding energy provides only one. We write the scattering
cross section
4n . 4n 1
= - sm 2 ~ = - ' ----=-- (90.9)
k 2 1 + cot2 ~o
(1
o k2 0
1+cot2~o (1 + ::)(1-",ro)
=
4n
(10 = -2--2 (1 +",ro)' (90.10)
k +'"
This cross-section formula holds for low energies and "'ro411. It is
the famous Bethe-Peierls formula of nuclear physics.
Literature. Bethe, H.A., Peierls, R.: Proc. Roy. Soc. Lond. (A) 148, 146 (1935).
V(r) V(r)
a R
-.-----r -r---r
Fig. 53. Deuteron model potential, without and with hard core. Cutting out the
core makes the well deeper if the binding energy remains the same
with m* the reduced mass ofthe two nucleons (m* =tm, cf. Problem 150).
Instead of ED' we may equally well use the characteristic length
242 One-Body Problems without Spin. Potentials of Spherical Symmetry
h
I = ---;:::.=.~ = 4.312 fm, (91.5 a)
V2m*IEDI
thence
e= 1R = 0.2783 (91.5 b)
Since here the right-hand side is negative, the argument of the cotangent
is bound to lie 19 between n/2 and n, and, since e is small, not very far
from n/2:
n
PX = "2 + e; cotPX = -tane. (91.7)
Wanted is the depth of the hole, i.e. the parameter X~, for a given
value of e, Eq. (91.5 b). To get this, we first compute e by putting (91.7)
for X into (91.6) and expanding in powers of e and e:
(91.8)
19 This holds if, as in the deuteron case, the potential hole can have only one
bound state. For two eigenvalues in the hole, Eq. (91.6) would have two solutions,
the lower energy level belonging to the interval 7C<PX <in.
Problem 92. Low-energy cross section with and without hard core 243
hole must be deeper. The presence of a hard core shifts this limiting
value to n/2 fJ > n/2, because, if a hard core is cut out, the hole has to
be deeper than before to provide the same binding energy.
With ~=0.278, according to Eq. (91.5 b), we find from (91.9)
2 Vo R2 2.467 0.557
X =--'-=--+--+0.046+
o IEDI [2 fJ2 fJ
with Vo the hole depth. Without hard core (fJ= 1) this gives X~=3.070
and V o=88.4 MeV. With core radius a=O.2 fm (fJ=0.8333) the values
are shifted to X~ = 4.267 and Vo = 122.9 MeV. Fig. 53 is drawn accord-
ing to these numerical results.
Problem 92. Low-energy cross section with and without hard core
For the two deuteron potentials of the last problem, there shall be
computed the scattering length and the low-energy limit for the neutron-
proton scattering cross section.
Solution. The scattering length a is connected with the limit of the
logarithmic derivative at r=R for k-+O by (89.10),
Lo-1 L =R x'(R).
a=R--; (92.1)
Lo o X(R)
On the other hand, according to (91.1), for the present potentials we
have
Lo=XocotfJXo (92.2)
The low-energy cross section limit for k-+O is
q(0)=4na2 . (92.3)
Since Xo and fJ have been calculated in the preceding problem to match
the correct binding energy of the deuteron, we may now simply compute
a and q(O) from Eqs. (92.1) to (92.3). The numerical results are:
1. Potential hole without core: fJ = 1 ; X~ = 3.070;
Lo= -0.3214; a=4.934fm; q=3.059 barn.
2. Potential hole with core: fJ=0.8333; X~=4.267;
Lo = - 0.3135; a = 5.028 fm; q = 3.177 barn.
These results are interesting as they show that, when gauged to the
same deuteron binding energy and hole radius, there is a very small
effect of only 3.8 per cent due to the existence of a hard core on the
244 One-Body Problems without Spin. Potentials of Spherical Symmetry
(93.1)
-i!\og2
1t r(ik/(1..)e a
2 2(1.. 2 2(1..
There just remains the purely mathematical task of bringing (93.3) into
a more suitable form for numerical evaluation.
With the abbreviations
k A.
2(1.. = q, - + iq=z (93.4)
2
we have
1t
bo - "2 = argr(2iq)-2qlog2-argr(z+!)+argr(1-z). (93.5)
Problem 93. Low energy scattering by a modified Poschl-Teller potential hole 245
n
~o - "2 = {argr(2iq)-2qlog2}
argr(2iq)-argr(A+2iq) = L{
tan-2
<Xl 1 q - tan- 1 - q-2}
n=l A+n-1 n-1
2q ~ { tan -1 ---tan
=tan _1 - - -n+ L. 2q 2q }
_1 - .
A 2 n=l A+n n
246 One-Body Problems without Spin. Potentials of Spherical Symmetry
~
+ L... { tan- 1 -2q- - tan- 1 -2q } . (93.7)
=1 A.+n n
It is easily seen that for zero energy of the scattered particles (i.e.
for q = 0) the phase angle also tends to zero according to
. (jo
hm - = -1.- -n cot -n A. + L (1
00
-- - -1) . (93.8)
q .... o2q A. 2 2 .=1 A.+n n
The resulting scattering cross section,
(1 = -
. 2 (jo = -4n(sin(jo)2
4n sm -- (93.9)
k2 (X2 2q
then tends towards a finite limit at zero energy. The only exception
n
(1-+ 00 occurs if cot 2' A. becomes infinitely large, i. e. for A. being an
'" , -1- {
= , II (-(2\1+ 1))112
-(2\1+1)-+ - + ...}
'~N n 2v + 1 n 2 n2
A few numerical results are shown in Fig. 54, where the cross section
is drawn versus the energy of the scattered particles, both in suitable
units. The hyperbola 1/(2qf corresponds to the limit Q=4n/P never
10
2 6
SL q
41t
4
Fig. 54. Scattering cross sections for three modified Poschl-Teller potential holes.
The hyperbola defines the limit 4n/k2 never to be exceeded by 0"0
xi' + [ k2-U(r)-~
1(/+ l)J XI=O, (94.1)
such a solution is e. g.
for r<r',
(94.6)
for r>r'.
Problem 94. Radial integral equation 249
y(r) = VUM
X,(r); f(r) = VU(r)j,(kr);
K(r,r') = VU(r) U(r') G(r,r') (94.8)
it is, however, transformed into
co
y(r) = f(r) + Jdr' K(r,r')y(r') (94.9)
o
with a symmetrical kernel
K(r,r')=K(r',r) . (94.10)
o
dr' U(r')j,(kr') x,(r'). (94.11)
f
co
u,,(r)=e ikz _-
4n
1 f
constants, identical with the Born approximation (cf. Problem 105),
eiklr-r'l
tPx'--, U(r')u,,_l(r').
Ir-r 1
(94.15)
(94.16)
and
(94.17)
- - , =~ (94.18a)
Ir-rl rr '=0
where Y is the angle between the two vectors rand r', and
The result is
0()
xl n)(r)=j,(kr)- (94.19)
o
This recurrence equation is already very similar to (94.14c). To show its
identity (except for normalization), we replace the spherical Hankel
function in 1/ according to its definition,
hP)=j,+in, ,
which gives
i
1/(r,r') = "kj,(kr)j,(kr')- G(r,r') , (94.20)
Jdr' U(r')G(r,r'H!n-1)(r')
0()
Xln)(r)=Aj,(kr)+ (94.21)
o
with the constant
0()
f
NB. If the exact integral equation (94.7) for x,(r) is compared with the exact
integral equation
1 eiklr-r'I
u(r)=eikz - 4n cf3x' Ir-r'l U(r')u(r') (94.15')
f
becomes co
1 -1
with
11 = dr y(r)f(r) dr' K(r,r')y(r')} (95.3)
and
00
The two integrals are equal if y(r) satisfies the integral equation (95.1).
From the preceding problem we gather that then
00
H2 = Jdrhy(r)f(r). (95.7)
o
Problem 95. Variational principle of Schwinger 253
hIl _ 2 fJI2 = 0
11 12
or
(95.9)
This is the variational principle sought. Writing it in detail, we have
to extremize the expression S, = It/I], i.e.
so that the variational principle may also be used with advantage to determine
the scattering length.
Literature. Schwinger, J.: Phys. Rev. 72, 742A (1947). - Cf. also Blatt, J. M.,
Jackson, J. D.: Phys. Rev. 76, 18 (1949).
f
r
f
r
~f
r
f
r
f
00
~
tan = - ~ dr' U(r') sin 2 kr' (96.11)
o
which is indeed the first Born approximation (cf. Problem 106). In
I
second-order approximation, X2 has to be added, and we fmd
l/k, in C( (0) we need the first approximation only in order to get results
I
correct to 1/k2, inclusive. Thus,
00
=-~f drU(r)sin2kr
o
f f
00 00
+ :2 2
dr U(r) sin kr dr' U(r') sin kr' cos kr'
o 0
+
o 0
I
A rather obvious reshaping of the 1/k2 terms finally yields either
tan. ~ - ~ I I
or
d, U('l sin k< {sin k< - ~ cos k< dr UVl sin' kr}-
(96.12 b)
This is the second-order approximation to the phase shift.
NB. The same method may be applied to partial waves with I> 0, the only
difference being that the trigonometric functions sin kr and coskr have then to
be replaced by the spherical Bessel functions j,(kr) and -n,(kr).
258 One-Body Problems without Spin. Potentials of Spherical Symmetry
f
r
1
C(r) = 1 + ~ dr' U(r') cos kr' X(r'); C'(r) = k U coskr x(r);
o
(97.3)
f
r
CS'-SC'
t' =----::--
C2
with the numerator
This is the differential equation sought for t(r), the so-called Calogero
equation.
Successive approximations in the Born sense are obtained if we
again replace U by l U, expand t(r) in powers of l,
(97.5)
Problem 98. Linearization of Calogero's equation 259
, U . 2
It = --sm kr; (97.6 a)
k
U .
I~ = -TIt sm2kr; (97.6 b)
(97.6 c)
f
00
(97.9)
yielding a phase-shift formula
tan. ~ - ~ Jd, U(,) sin k' {sin k' - ~ cos k' j dr U(r) sin' k r}
o 0 (97.10)
in complete agreement with Eq. (96.12 b) of the preceding problem.
the last term may be neglected for small t(r) so that we arrive at the
linear equation di U _
- = - - {sin2 kr+ t sin 2kr} (98.2)
dr k
for the approximate function i(r). Comparing (98.2) with (97.6) of the
preceding problem, it is immediately apparent that the second Born
approximation d U
-(tl +t 2) = - - {sin2kr+tl sin2kr}
dr k
is worse than (98.2) which instead of tl has the same function t on the
right as on the left-hand side, thus including the first term of (97.6c).
The linearization therefore leads in a single step to a solution of a quality
intermediate between the second and the third Born approximations.
The solution of (98.2) with the boundary condition
i(o) = 0 (98.3)
can be found by standard methods to be
i(,) - - ~ f dr' U(I) sin' h' exp {- ~ f dl' U (1') sin 2h"} . (98.4)
o r.
By expansion of the exponentials into powers of 11k one falls back upon
the second Born approximation. It should, however, be noted that
(98.4) is far better because, even for very small values of k or very large
U(r), as in singular potentials, where the Born expressions would become
meaningless, a well-defmed solution still exists as long as we are dealing
with repulsive potentials only.
Kv(z)-.l
V2z
In e- Z (99.5)
'Xo~C W; -x
2g
A ~
2 e .l.
_fL",-A
1
only the first term of each of the two series, viz.
1
'Xo(x)=CVx . n
2sm-
n
r
(
1--
1
1) (2A)2.l.
g
2A
1
2A
1
(g )24
r(1+L)
1 1 (99.6)
2A Vx'
262 One-Body Problems without Spin. Potentials of Spherical Symmetry
2A
r kr
b) From Calogero's equation we find by linearization (cf. Eq. (98.4,
-=-r
i'i 1 ( 1+-1 ) (4 A) 2\ (99.12)
a 2 2A
Problem 100. Second approximation to Calogero equation 263
n a/a
3 1
4 0.886
5 0.810
6 0.762
8 0.702
10 0.665
12 0.642
00 0.500
(100.4)
264 One-Body Problems without Spin. Potentials of Spherical Symmetry
Eqs. (100.7) and (100.8) may now be used to determine the scattering
length for the negative-power potential
g2 ~
U(r)=-
r~ r
(r )" (100.9)
Using the abbreviations
n-2
A=--, (100.10)
2
we have
=g 2ro f
"
o
dyy-lA exp {g; (X- lA _ y - lA)}.
Substituting of the variables
(100.11)
Problem 100. Second approximation to Calogero equation 265
al (r) =! rO(g2/A)2.1. e
1001
S rdt t - 2.1. e -r. (100.12)
(100.13)
The first term in the curly brackets leads back, of course, to the first ap-
proximation ai' Eq. (99.11). The correction
2 1a -a
0:=---; (100.14)
a1
is then easily derived from (100.13),
~
4r(1- H )
I I Id,/'.[I
0 s
dtt ~ ,"e~,]2 (100.15)
or
I
.~ 4~ d'Vse' J;, e~'
00 [ 00 ]2
f
00
The error of 11.4 % in the first is thus reduced to 4.6 % in the second
approximation.
The convergence of the method is worse in the case n----+oo or 1/-1.=0.
Eq. (100.15) then yields
J ! J2 =!;
a:=! 00 dse [00 dte- t
hence with
at =0.500 a
we now arrive at
a2 = 0.625 a.
x-Ltanx
tanb o = - - - - (101.3)
L+xtanx
where, for the potential (lOLl), the logarithmic derivative (see (89.5) is
L=XcoiX. (101.4)
The scattering length is defined by
. tanb o
a= - h m - - (101.5)
);-+0 k
or, in our special case (see also (89.14)
. -tanb o
a=-R hm -= - R (tanx o
- - - 1). (101.6)
x-+o
X-+Xo
x Xo
Problem 101. Square-well potential: Scattering length 267
I
to Problem 98 leads to
a= I
dr r2 U(r) exp [-21 dr' r' u(r')]' (101.7)
-
a= eX~
-R--
Xo
f
Xo
dtt 2 e -t 2 . (101.8)
o
Using the identity
Jdt e
Xo Xo
Jdt t 2 e -t2
=1"1 - t2 1 X
-2" 0 e -X~
o 0
the integral in (101.8) may be reduced to the error function. Thus we arrive
at the fmal result
a~ -~R{~:rM"-} (101.9)
attraction repulsion
Xo aiR aiR aiR aiR
1.0 - 0.557 -0.515 0.238 0.231
1.2 - 1.142 -0.912 0.305 0.289
1.4 - 3.14 -1.632 0.368 0.337
1.6 +20.4 -3.02 0.424 0.375
268 One-Body Problems without Spin. Potentials ofSphericaI Symmetry
potential become singular and change sign beyond this, a feature not
reproduced by the approximation. It is therefore only safe to use the
lineariz~d approximation appreciably below resonance levels at zero
energy.
For a repulsive potential
tanhX o )
a=-R ( Xo -1 (101.11)
a~-~R{-~~rM-} (101.12)
tan <5 0
a= -lim-- (102.2)
k .... O k
2m g e- x
U(x) = - V(r) = - _ . - with x=rjr.() (102.3)
1'12 r~ x
f
Y
Eiy= dttet
-00
by partial integration
a= -tro(Ei2g-log2g-C), (102.5)
g -ii/ro g -ii/ro
0.1 0.1052 0.9 1.5425
0.2 0.2220 1.0 1.8420
OJ OJ518 1.1 2.1835
0.4 0.4967 1.2 2.5740
0.5 0.6589 1.3 3.0217
0.6 0.84l3 1.4 3.5362
0.7 1.0468 1.5 4.1290
0.8 1.2790
270 One-Body Problems without Spin. Potentials of Spherical Symmetry
(102.8)
with
(102.9)
defming the scattering length a. Solving (102.8) with respect to Cl yields
Xo(x)
-Cl=---X. (102.10)
X~(x)
x X x' -01:
0 0 1 0
1 0.638 0.457 0.348
2 1.040 0.298 1.484
3 1.312 0.255 2.15
4 1.559 0.241 2.47
5 1.798 0.237 2.60
5.5 1.916 0.236 2.63
6 2.033 0.235 2.65
The accompanying table shows a few figures for the example g = 1 and
gives the scattering length
a= -2.65 To (102.lla)
in this case, to be compared with the approximation (102.5) for g = 1, viz.
a= -1.842ro . (102.11 b)
Problem 103. Improvement of convergence in a spherical harmonics series 271
correcting a1 for g = 1 to
a2 = - 1.500 '0 (102.11 d)
The deviations from the exact value of the three approximations
discussed, of course, become the larger the greater the potential strength.
The ordering of the approximations is the one predicted at the beginning
of this problem.
Literature to Problems 96-102. Calogero, F.: Nuovo Cimento 27, 261 (1963).-
Klar, H., KrUger, H.: Z. Physik 191, 409 (1966); Kruger, H.: Z. Physik 204, 114,
205, 338 (1967).
Renumbering the subscripts taking special care of the first terms leads to
(103.3)
with
(103.4)
I, =
N
C{
1-" -I 1+ 1
--(/-1)-" - --(/+ 1)-"}
2/-1 2/+3
The terms with [0 and 1- 1 then cancel, and the leading term becomes
N (X+1)2
11=-/'2j2
which is indeed a considerable improvement.
NB. The formulae simplify even more if we write
Jj =(21+ 1) IX,
corresponding to the form such coefficients have in most cases. We then fmd,
L {(21+1)IX,-/IX'_I-(1+1)IXI+.}P,(X).
00
1(/+1) . 28 (/-1)/(1+1)(/+2).48
P,(cos8)=1-~sm 2+ 2!2 sm 2 (104.4b)
The coefficients of the series (104.4b) therefore differ from A2n only by
terms smaller by the order of A- 2. Neglecting this correction for large
values of I, Eq. (104.4b) becomes
A2 8 A4 8
P'(cos8)=1 - -sin 2 -
l!2 2
+ -sin
2!2
4 -
2
Dealing with high energies, we may further use the WKB approx-
imation to compute the phase function c5(b) using the quasipotential
formalism of Problem 124. Eq. (104.7) then immediately yields
(j(b) = --k
2
1 fV
co
dtt
t2 _ b2
Q(t)
-,
E
b
where Q(t) may be identified with V(r) in the high-energy limit, i.e. if
IV(r)I~E
for all values of r. We then may write r again instead of t and have the
f Vr
simple result
co
k drr V(r)
(j(b) = - - . (104.8)
2E 2 -b2
b
Eq. (104.6) becomes worse the greater 8, at 8=1t leading to Jo (21+1) instead of
( _1)1. In Fig. 55, P lO is compared with its approximation by (104.6). As backscattering
becomes less and less important at high energies (kR ~ 1), however, this error does
not appreciably affect our purpose.
1.0
0.6
0.4
0.2
-0.2
-0.4
Fig. 55. The Legendre polynomial P 10 (cos 8) (full line) and its approximation by
the Bessel function (104.6) (broken line)
(105.1)
with
2m
9 W(r) = hi' V(r) . (105.2)
276 One-Body Problems without Spin. Potentials of Spherical Symmetry
J
u(r)=uo(r)+g cPr' G(r,r') W(r')u(r') (105.4)
J
ull(r)=uo(r)+g cPr' G(r,r') W(r') ull _ 1 (r'); (105.7)
J
+ 9 cPr" G(r', r") W(r") [uo(r") + ... ]} .
This is a power expansion in the "coupling parameter" g. The n-th
approximation is found by an n-fold volume integration which makes
all terms but the first-order one rather cumbersome to evaluate.
The first-order problem is greatly simplified if W(r) depends only
on the absolute value of r. We then find from (105.7) with (105.5) and
(105.6) for the asymptotic behaviour of u 1 (r):
(105.11)
.t.
'fdft sinKr'
e- I'" r' =41t-- (105.12)
Kr'
so that finally Eq. (105.8) yields the first approximation
(105.13)
with
f
00
sinKr'
1(9)= -g dr'r'2 W(r')J(;I. (105.14)
o
Eq. (105.14) for the scattering amplitude cannot be used if the integral
diverges at either the lower or the upper integration bound. In the
vicinity of r' = 0 the potential must not therefore diverge stronger than
r,-3+E, 8>0; for large r', on the other hand, it must decrease more
steeply than the Coulomb potential, i.e. at least as r'-1-E.
(106.2)
1
1(8)=Pro 2 2 (106.3)
1+K ro
with the "hole size" constant
(106.4)
1
L (21+1)(e2i,)I-1)~(cos8).
00
1(8)=-. (106.5)
2,k,=0
To judge Eq. (106.3), the phase angles ~, may be used only if we either
expand (106.3) in a spherical harmonics series or, doing the same with
(106.2), specialize the result afterwards to the Yukawa case. Both ways
will, of course, lead to the same final result. They will be sketched in
what follows.
Problem 106. Scattering by a Yukawa potential 279
. P'(cos.9)= 2(
'=0 2l 1 +2xo l-cos.9)
with the abbreviation
Xo=kro' (106.6)
Taking advantage of the spherical harmonics' orthogonality, we fmd
1
t o=1 +-2' (106.7)
2xo
-1
-
1 f --=Q,(t
dt P'(t)
o) (106.8)
2 to-t
-1
defines a spherical harmonic of the second kind (to> 1). The first two
of these run as follows:
1 to + 1 1 to + 1
Qo(t o) = -log - - ; Q1 (to) = - to log - - - 1.
2 to-l 2 to-l
Introducing Xo instead of to, we thus arrive at the final formulae
(JJ1(XO) = _1_{(1 +
4xo
~)log(1
2xo
+4X~)-2}.
2. Expanding the scattering amplitude (106.2), we make use of the
identity
sinKr
--=
00
L
(21+1)j,(kr)2 P'(cos.9); (106.10)
Kr '=0
then, by comparing (106.2) with (106.5), we get the general relation
f
00
If we here insert the Yukawa expression (106.1) for V(r) and use the
abbreviations kr=z and a= a./k = 1/(kro)= 1/xo we fmd
;:f
<Xl
2tf d8
",,2
(106.13)
o
finally leads to
1.
t5,~-(e2"'1-1)=-
2i
P
2xo
f
,,/2
d8
sin21+18coS21+18
(sin 28+p2y+l
. (106.14)
o
Substituting the denominator bracket by
t=sin28+ p2
the integral in the new variable becomes simply
~
2
f
1 +/1 2
d (t-p 2t(1+p2_ t )'
t 1+1
(106.15)
/1 2
and may be evaluated for each 1 in tum. The results will again be the
ones summarized above in Eqs. (106.9).
In order now to judge the quality of the approximation, the functions
CPo(xo) and CPl (xo) have been drawn in Fig. 57 versus a logarithmic Xo
sc~e. Both functions vanish at Xo = 0; for low energies they start as
CPo(xo)=xo(1-2x~+ ...);
(106.16)
and, passing through a maximum, they tend to zero again at high ener-
gies. If, at the energy wanted, P CPo ~ 1 and k r 0 ~ 1, the Born approxima-
Problem 106. Scattering by a Yukawa potential 281
tion will be good. If P ({Jo does not satisfy this condition well enough,
P({Jlmay still do so. Then we may write
(106.17)
0.4
f 0.3
'II (kroJ
0.2
0.1
Fig. 57. Yukawa potential scattering phases in first approximation, 01= - PqJl(kro)
with P a potential size parameter. The abscissae describe the energy in logarithmic
scale
NB. The scattering amplitude (106.3) as well as the phase expressions (106.9) for
turn out to be real in first Born approximation. This can only be satisfied by real
phase angles lOll ~ I, because power expansion leads to
only sin 2 01= or -toi + ... occurs, here even the condition or ~ 1 will suffice.
282 One-Body Problems without Spin. Potentials of Spherical Symmetry
f
00
or
2Pro
f(9) = ( b 9)2; a= 1 +2x~; b=2x~. (107.5)
a- cos
This amplitude permits first the total scattering cross section to be
calculated:
f f
+1
dcos9
(I = dDlf(9W = 4p2 r~21t ,
(a-bcos9t
-1
f(9) = ~
21k '=0
f (21+1)(e 2 i 61 -1)P,(cos9) (107.7)
;/e f
+1
With (107.5) for f(9), these expressions become very simple integrals
whose evaluation leads to
50 100
Fig. 58. Born scattering phases 150 and 15 1 for an exponential potential, in units
of potential size parameter P, drawn over a logarithmic energy scale
These expressions may as well be written in the form ei61 sin h, and
will be equal to h, if small. They have been drawn in Fig. 58, except
for the factor P. It is clearly apparent that for small values of Xo the
284 One-Body Problems without Spin. Potentials of Spherical Symmetry
I
approximation, inclusively, by applying Eq. (96.12a),
I
(107.3) and the dimensionless variables x=r/ro, y=r'/ro we get
f
00
0.6
==rn
...........
0.5
0.4 \.
g(xoJ 0.3 \
0.2
0.1
\
r-... MI:
0.0
0.1 0.2 0.5
"- - 1
2 5
V
70 20
-0.01 \ /
~/
-0.02
Fig. 59. The function IPgl must be small, if the first Born approximation shall be
good
Problem 108. Born scattering by a charge distribution of spherical symmetry 285
The first term is identical with (107.9). As long as the second term in
the curly bracket remains small compared to unity, the Born method
will converge fairly well. Its validity, therefore, is bounded by the con-
dition
IP"g(xo)1 I 5-4x~
= p. 8(1 +x~)(l +4x~) ~ 1.
I
The function g(xo) has been drawn in Fig. 59 (on two different ordinate
scales in the left and right half of the diagram).
Example. Let a potential be given with the size parameter P= 3, and an ap-
proximation within an error of 2 % in the amplitude (4 % in scattered intensity) be
sufficient. Then the condition of validity becomes IP g(xo)1 < 0.02 or Ig(xo)1 < 0.0067.
This value will be reached at Xo = 4 which then determines the smallest ener~ at
which the first Born approximation may be used. The phase angle becomes ~o ~ 21 0
f(9) = 2m
--2
II
f
<Xl
2 sinKr
drr V(r)--;
Kr
K=2ksm-.
2
. 9
(108.3)
o
It should be noted that, outside the nucleus, V (r) = - Z e21r and the inte-
gral does not converge at its upper limit, but becomes indefinite. This
difficulty may easily be removed, as was first shown by Wentzel 20, if
a convergence-generating factor e-ID' is added to the integrand and (X
put = 0 in the final result. Screening by the atomic electrons may give
physical justification to this mathematically somewhat dubious proce-
dure.
Performing two consecutive integrations in part we find
f f
<Xl <Xl
At the upper limit, the integrated term will vanish due to Wentzel's
trick. At the lower limit, in the viCinity of r=O, the function V(r) must
be of the form V=VO -V1 r2 + ... so that rV-+O and (rV)'-+Vo.
Hence, the integrated term becomes - VoIK2. The same obtains for the
complex conjugate to be subtracted in the sine integral (108.3) so that
no contribution comes from the integrated term. In the remaining
integral (rV)" may be replaced according to (108.1) thus yielding
2m 4ne
f(8) ="2'
II
-3
K
f<Xl
drrp(r)smKr. . (108.4)
o
This integral will no longer cause any convergence difficulties.
If the nucleus can be treated as a point charge, only the vicinity of
r=O will contribute so that (108.2) may be applied directly and f(8)
becomes
(108.5)
~~ = IfoUJW = (~~y . 19
S10 4 -
(10S.6)
2
Eq. (10S.4) may be written
f(9) = fo(9)F(K) (10S.7)
f
with a "form factor" 00
4n sinKr
F(K) = - dr r2p (r)-- (10S.S)
Ze Kr
o
determining the deviation of the scattering amplitude f(9) from its
Rutherford value:
da 2
- = F(K) . (10S.9)
da o
An obvious example would be a nucleus of constant charge density
within its radius R. The normalization (lOS.2) then becomes
4n
_pR 3 = Ze
3
and the form factor
F= -
R3
3 fR
sinKr 3
drr2 - - = --{sinKR-KRcosKR}
Kr (KR)3
(10S.10)
o
or
(10S.11)
In the angle interval O::S; 9::s; n the argument of the spherical Bessel
function will vary from 0 to 2kR which, since the Born approximation
should be applied only if kR~ 1, is a rather large interval in which
the Bessel function will have several zeros. Instead of the Rutherford
scattering intensity, falling off monotonously with increasing angle, we
shall therefore find a sequence of diffraction maxima, in a manner well
known from similar patterns in classical optics. The number of maxima
(if all are resolved) allows for a rough determination of the nuclear
radius.
288 One-Body Problems without Spin. Potentials of Spherical Symmetry
a differential equation similar to that of Poisson may be set up for the interaction
of a neutron with a nucleus of particle density p :
(108.13)
4n f drrlp(r)=A (108.14)
o
will hold with A the atomic number of the nucleus. The partial integration then
leads to
I
GO
dr(rV) sinKr= - ~2 I
GO
dr(rV)"sinKr,
I
GO
I I
leading to
GO GO
I
with the form factor
GO
(1=
4nk L(2/+1)sin2c5, 4nk
2
<Xl
= 2
<Xl i(x)
L(2/+1) .2(; 2( ). (109.4)
1=0 1=0 11 x +"1 X
If the energy is high enough to make x ~ 1, the infinite sum (109.4) can
be decomposed into two parts. As long as I < x, the sum terms cor-
respond to particles hitting the sphere (hl<mvR) and the functions i,
"I
and may be well represented by the asymptotic expressions,
If, on the other hand, l> x, the particles would in the classical picture
pass by the sphere without hitting it (hl>mvR). i, and might then "I
be represented by the first term of their power expansions. Since these
are j , OCX-+ 1 and "IOCX-I, the ratio in (109.4) becomes very small, and
these sum terms may be neglected. In this approximation we may
therefore write
(1
4n [xl
~ 2" L(2/+1)sin 2 x - -
('n) . (109.6)
k 1=0 2
Of course this approximation does not hold for the terms around
I~x where the transition from the one to the other of the two approxi-
"I
mations of j, and is performed. The bigger x, however, and the more
terms contributing to the sum (109.6~ the smaller must be the effect of
these few terms upon the sum and thus the smaller the error of the
approximation.
290 One-Body Problems without Spin. Potentials of Spherical Symmetry
it then runs
47t {[Xl
2 [Xl}
(J = k2 sin X/~O (2/+ 1)+cos2x 1= 1.t5.... (21 + 1) .
V2 u + (p _2~")u=0 (110.1)
where el and e2 are the two point charges, m is the mass of the scattered
particles and v their velocity at infinity. The problem is of rotational
symmetry about the z axis so that the solution depends on coordinates
in a meridional plane only, as rand 9, or, using parabolic coordinates, on
9 2 9
~=r-z=2rsin2 -; rt = r + z = 2 r cos -. (110.3)
2 2
That to use these coordinates will be reasonable can easily be seen
from the well-known result. Except for phase factors, the asymptotic
solution must, according to Rutherford's law, become
From the definitions (110.3) one gets (omitting derivatives with respect
to rt and cp),
2 4 d ( dV) ov 2~ dv
r=!-(~+rt),
Vv= ~+rt d~ ~ d~ ; oz = - ~+rt d~;
thus transforming the differential equation into
~v dv
~ d~2 + (1-ik~) d~ - kxv=O. (110.5)
and
r(1 +ix)=ixr(ix),
we then arrive at
(110.11)
with
'70 = argr(1 +ix). (110.12)
This, indeed, is the solution to the scattering problem in standard
normalization, the only difference from other similar problems being
the logarithmic phases characteristic for the Coulomb potential. From
Problem 111. Partial wave expansion for the Coulomb field 293
du=
-
dO
1/(.9)1 2 = ('X)2 =
.9
(e -
2)2 ' -1- .
1e
4E ..9
(110.13)
2k sin 2 2" S104 2"
This is the Rutherford law.
NB 1. At r=O, we gather from (110.7) that U= C or, according to (110.10), that
lu(OW=e- u lr(1+i"W
According to an elementary property of the r function we may write instead,
1t" 21t"
1u(0)1 2 =e -nx '-'-h-=~l' (110.14)
SID 1t" e -
For positive" this is always smaller than 1, and for 21t" ~ 1 it becomes exponentially
very small. Since
21t" = 21tel e2
fav
this means that, for strong repulsion and low energy, the wave will only penetrate
the potential barrier at the origin with a rapidly decreasing amplitude (Gamow
factor).
NB 2. The asymptotic solution (110.11) has been derived under the assumption
e, e
oflarge k say, k ~ c with c~ 1, not of large k r~ c. It is valid, therefore, not
outside the sphere r=clk but outside the paraboloid
. 8
2 krsID-= c or r-z=clk. (110.15)
2
It may thus be wrong, even at very large r, if 8 is very small. This restriction, how-
ever, is not very important. The wavelength will in most cases not be larger than
the atomic dimensions, say, 11k = 10- 7 cm, and the distance of the counter detecting
the scattered particles, say, at least r= 10cm. This leads to kr= lOB. Let c be about
103 , then (110.15) leads to 8=10- 5 for any deviations, i.e. to an angle much too
small to permit separating the scattered from the primary beam.
xi'+ [ k
2 2k'K 1(/+
- - - - - X,=O
I)J (111.2)
r r2
satisfying the boundary condition
X,(O)=O (111.3)
in a suitable normalization. If we put
+ e 2~ (1+ 1) eixlog2/cr-2i~I-2i/cr}
-";Ir(/+I+i'K)1
a =e (111.8)
I 2(2/+ 1)1
we find
x,(r)=a,(2krY+l eilr IF1 (/+ 1 +i'K,21+2; -2ikr) (111.9)
(111.10)
Our main problem now will become the expansion of the wave
function u, determined in the preceding problem, into the series (111.1)
Problem 111. Partial wave expansion for the Coulomb field 295
CI -xk) = -
r
2/+1
-
2
f
+1
f
o
where p,n) denotes the n-th derivative of P, with respect to its argument.
Since it is a polynomial of I-th degree, it will be reduced to zero after the
I-th step, thus putting an end to the integration procedure. The details
of this calculation are given in the appendix to this problem. The result
is, for kr~ 1,
JI~ - L (.)n
I
~ p,n)( -1) {1
. e- 2ikr (-2ikr)ix
n=O kr r(l+lx)
e -ix(ix-n) .}
+(_1)n+1 . (-2ikr)n-.x . (111.17)
r(1 +n-lx)
In the curly bracket, only for n = 0 both terms have the same order of
magnitude, whereas for all n;?; 1 only the second term contributes.
With some elementary reshaping, using Eq. (111.22) of the appendix,
we then find
"X
J-.(-1)1+1 e2" {e-2ikr+iXrog2kr
1 r(1+ix)
_[I
n=O
(_1)n (/+n)! r(1+ix) ]e-iXrog2kr}.
n!(/-n)! r(1+n-ix)
2i(", _!2!)
It can be shown that the coefficient in the square bracket is e 2
so that we finally have
xx
J 1-.(-1)1
e2"
. 2ie
i(",-!2!). (
2 e-krsin kr-xlog2kr+'1I-- .
In)
r(1+lX) 2
(111.18)
Setting this into Eq. (111.14) and using the asymptotic expression
(111.10) for XI we obtain
(111.19)
U -.- L
1 00 (2/+ 1) rei", sin ( kr- x log 2kr+'11 - - In) P'(cos.9). (111.20)
kr 1=0 2
Problem 111. Partial wave expansion for the Coulomb field 297
f -
dxllFa+l-nf'o (i)ft
~ kr .r;'
ntnl {
Fa+l- (n+1)
1 Fa+ (n+1) - ... + (_1Y'+1F.
2 Fa-l+ a-ft'}
At the upper integration bound, x=O, all the F.= 1 and cancel in the curly bracket.
Therefore there will only remain a contrihution of the lower bound, X= -2ikr,
where the spherical harmonics have the argument -1:
J,=
ft=O
(ki )np,ftl(_1)
r
0=-1
t
(-1 (n+ 11)Fa _ o
V+
}
(111.21)
with
Fa-.= IF1(i,,-v,1; -2ikr).
with its first term being proportional to (kr)', its second to (kr)--I. In the sum
-1 ~v~n in (111.211 therefore, only v=n remains of the first, and only v=-1
of the second term thus leading to Eq. (111.17), above.
The derivatives of the Legendre polynomials follow easily from
, (I+m)!. 1
P'(cos.9) = 2Fl(/+ 1, -/,1 ;t) = L (-1)'" (1- m)'.m.,2 t'" WIth t = -2 (1-cos.9) .
.. =0
Differentiating this repeatedly with respect to t and then putting t=O or cos.9= 1,
wefmd
d np,(1)= '(-1t (I+n)!
dt" n. (I-n)!n!2
and therefore
g.nl(1)= d nP,(1) =(_1Y+ft (/+n)! ,
, (dcos.9Y' 2"(I-n)!n!
thence
g.nl(_1)= (I+n)! (111.22)
, 2n(/-n)!n!
298 One-Body Problems without Spin. Potentials of Spherical Symmetry
ei (kr-"log2kr+2'10)! X -ixlogsin 2l . }
U s -+ - --,-e 2 _i(e 2JclO_1) (112.5)
2kr . 2 /)
S10 -
2
and the scattering amplitude
(112.6)
Problem 113. Sommerfeld-Watson transform 299
f(.9) = ~
I
f dUf(A-t) p;.-t( -cos.9)
cosnA.
(113.3)
c
Im)...
Re)...
' - - - - -_ _- - 0 0
c
Fig. 60. Integration path which may either be replaced by loop integrals about the
poles on the positive real axis or by a background integral along the imaginary A.
axis plus Regge pole loops in the right half plane
where the integration path C is shown in Fig. 60. This can easily be
proved. The function
1 1
cosnA sinnl
300 One-Body Problems without Spin. Potentials of Spherical Symmetry
1"(0) =
JB ~
1
---:
1t1
f
+C()
dYY f('Y-2"1)p;,-t(-cos8) .
cosh1tY
(113.7)
The scattering amplitude f(8) then consists of the sum of pole con-
tributions and background contribution,
(113.8)
NB. A pole of f(l) in the I plane is called a Regge pole. Its path through the I
plane, if the energy varies, is called a Regge trajectory. The importance of Regge
poles is that they offer an alternative to describing the interaction between two
colliding particles by a potential. If the positions (ac.,) and residues (fJ.,) of the poles
are known, it may be possible to describe scattering by these parameters. This
method seems to be of special advantage in elementary particle physics (where,
of course, energies are high and the theory has to be rewritten in relativistic form),
because the main features revealed by experiment there are rather sharp resonance
states (intermediary particles or particle resonances). In nuclear physics the un-
relativistic theory may be used to describe compound states.
Problem 114. Regge pole 301
Let a pole of j(l) lie close to a physical value of I, say I=L with in-
teger L, for a given energy. What physical situation does the pole de-
scribe if the energy varies a little?
Solution. We shall consider only the contribution of one term in
the sum (113.6) to the scattering amplitude which, omitting the sub-
script n, becomes
P"'-t( -cos.9)
jp(.9) = 2fJrx . (114.1)
COS1lrx
Here,
(114.2)
with e and" real numbers, both supposed to be small (lei ~ 1, 1,,1 ~ 1).
Then,
(114.3)
Py(t) = - )( 1) (114.4)
1l n=O v+n+
so that, in our special case, we get
2fJ( 1 ) (2n+1)Picos.9)
jp(.9) = -
1l
L+-+ e+il'f
2
L (L-n+e+il'f)(L+n+1+e+il'f)
<Xl
n=O
.
(114.6)
So far, nothing has been neglected for this pole contribution. Making
e
use now of the smallness of and I'f, the first factor in the denominator
will become very small for n = L, thus making this term much bigger
than the rest. We then may confme our attention, in reasonable ap-
proximation, to this main term and arrive at
(114.7)
302 One-Body Problems without Spin. Potentials of Spherical Symmetry
Let us now study the dependence of this expression upon the energy
E of the scattered particle. The pole does not correspond to a state of
integer momentum, but it is of course situated at IX for a real energy E.
On the other hand, a physical state of integer angular momentum L
(or, A=L+t) is supposed to lie close to the pole; its energy then can
have only a very small imaginary part, its real part Eo differing very
little from E, say,
(114.8)
According to Eq. (114.2), this means for ~ and 11 as functions of the
energy that
(114.9)
Let E be any real energy of a physical state, not far from EL , then we
have
~(E)+i11(E) = (dlX)
dE EL
(E-EL)' (114.10)
(115.2)
where A.=21t/k is the vacuum wavelength, and expanding S(r) into a
series of powers of A..
Solution. Let A. be the deBroglie wavelength at all points where
V(r) = 0:
21th
A.=-; p=V2mE=hk. (115.3)
p
Then we may introduce the index of refraction,
n(r) =
lr:vr;>
V1 - T (115.4)
I ~vnl"'~~~
n I A.
(115.5)
~ V2 S+ (V S)2 -
21tl
n2 = O. (115.6)
t
S(X + A) = S(x)+ AS' (x)+ A.2 S" (x)+ ... ,
the non-linear term t A S" can contribute very little to the exponent, i. e.
2
2n -A
1 2 S" I ~ 1 or IV2 S1 ~-.
1
1- '
A 2 A
The ftrst term of the Riccati equation (115.6) therefore is small compared
to the other two so that, in a ftrst approximation, we get the eikonal
equation instead:
(115.7)
Let us now expand
(VS O)2 _n 2 = 0,
~}
lV 2 S o+2VSo'VS 1= 0,
(115.10)
2
1 V S 1 +(VS 1 )2+2VS o 'VS2= 0,
lV 2S 2 +2VS1'VS 2 +2VSO 'VS3 = 0,
Q(r)
2= k2( 1 - -V(r) - -
1(1+
- . 1)) 2
k =-
2mE
(116.2)
E k 2 r2 ' h2
(116.4)
The expansion
(116.5)
A
e = -- ~ 1, (116.6)
2nR
(116.7)
306 One-Body Problems without Spin. The Wentzel-Kramers-BriIIouin Approximation
is real, all the functions Yn(r) also become real, and since we have ex-
panded S into powers of the purely imaginary parameter eli, the con-
tributions of the Sn become alternately real and imaginary, leading to
alternate corrections of phase and amplitude in the radial wave func-
tion x,(r):
If we invert the sign of Yo, the odd functions Y2n+ 1 remain unchanged
and thus also the amplitude corrections, whereas the even functions
Y2n invert their signs too, leading to the complex conjugate solution.
Hence, the method yields a complete fundamental system of solutions.
x= JdrQ(r) (117.1)
r,
instead of r as independent variable.
Solution. Since
2 2(1 - EV(r) - 1(1+1))
Q = k
2 2
k2r2 == k n(r) (117.2)
i + Qx+x=o (117.4)
Q
where the dot denotes differentiation with respect to x. On the other
hand, the WKB functions (117.3),
(117.5)
form a fundamental system of solutions to the differential equation
(117.6)
U+
Q [
Q 1
Ii + 1 -"4
Q2
Q2 +
1 OJ
"2 Q U = o. (117.7)
308 One-Body Problems without Spin. The Wentzel-Kramers-Brillouin Approximation
Q 1 Q 2
-=- and -= - - .
Q 3x Q 9x 2
The two differential equations (117.4) and (117.7) then can be replaced
for r'::!!.r, by
1
i+-i+x=O (117.4')
3x
and
U+~U+(1-_5_)U=O.
3x 36x2
(177.7')
(117.10)
For small values of the complex variable x there hold the relations
1 (x)t
Jt(x) = r(4) '2 ;
J t(x) = - - ' - -
- r(!) 2
. (e)-t .
or
v(x) -+ WW;
C {cos (x - ~ - ~) + cos (x - ~ + ~)}
(117.18)
This agrees asymptotically with the WKB solution (117.3) but dermitely
fixes the phase angle.
NB. The discussion of the solution in the vicinity of the classical turning
point can be simplified by using the Airy functions, cf. Problem 40.
Literature to Problems 113-115. Wentzel, G.: Z. Physik 38, 518 (1926). -
Kramers, H. A.: Z. Physik 39, 828 (1926). - Brillouin, L.: C. R. Acad. Sci. Paris
183, 24 (1926). - Langer, R. E.: Phys. Rev. 51, 669 (1937).
(118.4)
U(X)=Q-tcos{~[sm-1~+
hw
~
Xo Xo
V x:
1-
Xo
+ ~]_~}.
2 4
(118.6)
This solution has still to be adapted to satisfy the other Langer boundary
condition at X= +xo as well. That means either an odd or an even
function. With the abbreviations
E [.
y(x)=-
hw
sm -1 -+-
X X
Xo Xo
1M2]
1- 2 ;
Xo
E
hw 2 4
1t 1t
cp = - ' - - - (118.7)
(119.1)
Problem 119. WKB eigenvalues in a homogeneous field 313
with
Q(z) = k
l~
V1 - E z . (119.2)
(119.3)
U(z)~ Q-t cos {LdY Q( -Y) -~}~ Q-t cos {-I dZQ(Z)-~}
or
we find that the arguments of the cosines in (119.4a) and (119.4b) can
only differ by an integer multiple of 1t:
f f
% %
dz Q(z) - ~= dz Q(z) + ~ + n 1t
%, %2
or
Jdz Q(z) = (n +!)1t .
%2
(119.5)
%,
This is the general WKB eigenvalue formula which we now apply
to our gravitational field:
(119.6)
22 The double sign in this formula is left open in the derivation of the Langer
formula because it is independent of normalization.
314 One-Body Problems without Spin. The Wentzel-Kramers-Brillouin Approximation
f
Problem 118 where ~%O
dxQ(x) = h~ 'It
-It.
leads directly to the level formula
E=hc.o(n+t)
with
Q2 2m [ E - Verr(r)]
= hi" (120.2)
and r1 <r2 the two classical turning points may be applied to negative
as well as to positive energies E. The symbol Veer means inclusion of
the centrifugal term, with 1(1+1) replaced by (l+t)2 (cf. Problem 121).
In our case, therefore, we have
(120.3)
2 2mlEI
k=~; (120.4)
Problem 120. Kepler problem in WKB approach 315
we have
(120.6)
(120.7)
The integral (120.7) may be evaluated in three steps. First substituting a new
variable x by putting
r = t(r2 -r1)x +t<r2 +r1),
the quadratic form under the root is diagonalized. This may be followed by a second
substitution of
y=V~
lf1=X
which leads to a rational integral:
with
p2 = r2/r1.
Deformation of the integration path into an infinite half-circle in the upper half
of the complex y plane leaves us with the poles at y=i and y=ip, the latter
being a second-order pole. Taking the residues, we finally arrive at
n 1;:-r:- 2 1
2krl(Vr2/rl-1) =(n,+z)n. (120.8)
~[1-V1-t2](
2t
1+~
1-~
_1)2 =n,+!
or more simply,
1-t
1-- = n,+!. (120.9)
t
It follows that
1 1
t = ---:-- or ka = 1 ;
n,+t+1 n'+2+ 1
316 One-Body Problems without Spin. The Wentzel-Kramers-Brillouin Approximation
Q2 = ~~ {_ lEI + e:}
we should have arrived at half-integer quantum numbers n. This is easily seen.
With 2=0, the turning points follow from (120.5) to lie at r1 =0, r2=2/(Pa), and
the condition (120.8) may be written
111-
"211: kW r2 -
11:""'2
V rd = ka
11:
= (n,+I)1I:
1
k 2r2
+ -11:
4
}
(121.1)
"
where . 1. 2 = l(l + 1) and the turning point is at r l = A./k. The amplitude
factor of this function tends towards 1 at large r and may thus be omitted
in a discussion of the asymptotic behaviour. The integral may easily
be evaluated in the variable x=rt!r:
,
J" R dr
rl
1 - - = rl
r2 [10 r
-
r;
-
.
1 +slO
-1 rl
- - -
r
11:
2 J .
rl [ ;r; ( 1 - 2"1 r2
r;) + -;:
rl + ... - 2"1I:J --+ r - 2"11: r l
Problem 122. Calculation of WKB phases 317
l.e.
E k 2 r2 2 2
(122.3)
r,
318 One-Body Problems without Spin. The Wentzel-Kramers-Brillouin Approximation
The identity of the expressions (122.2) and (122.3) can easily be shown,
since (see Problem 121)
,
J l~
VI - W
dr = kA[l~ .
Alk nJ
V(T;k)2 - 1 +sm _1 -;:- -"2
AI"
tends towards
. (In2' - xlog2kr+'11)
x,ex:sm kr - (123.2)
with
'1,= arg T(l+ 1 +ix). (123.3)
On the other hand, the WKB method yields
.(
X, ocsm kr - In'2 + b,) (123.4)
with
(123.5)
{J-vx-J-~}
we may write
. " dx " dx 2 2
b,=hm
,,-+00 x X
"t ).
with
x, = x + VX2 + A2.
The integration formula
f vx vx
dx
-x = -xlog(x-x+VX)+Asin- 1
XX+A 2
XVX2+A2
leads, with the correct integration bounds, to
11, = X(lOgX-1)+Xf(~). }
(123.7)
f(z)=logV1+z 2 +zsin- 1 ~.
1+Z2
We now have to compare the. WKB result (123.7) with the correct
expression (123.3).
In the accompanying table we give a few numerical values for the
example x=2. Computation of the WKB values according to (123.7)
is straightforward; the computation of the "" Eq. (123.3), follows the
relations
(123.8 a)
with (123.8 b) a fairly convergent series for ,,~2. The results are in
good agreement. This may be seen more explicitly for 1= 0 when
",
correct ",
WKB
0 0.130 0.110
1 1.237 1.222
2 2.022 2.012
3 2.610 2.610
4 3.074 3.076
"0
WKB7t 11
=4+,,(log,,-1)-8,,+192,,3
so that the difference of the two expressions tends to zero as 12l 3 "
This means that continuing our table beyond 1= 4 will not lead to
any appreciable deviations of the WKB from the exact phase values.
t= r V 1- ; (124.1)
Problem 124. Quasipotential 321
(124.4)
kJ +}.
00
(124.7)
The function Q(t) differs little from V(r) as long as lV(r)I~E. This
may be seen if we write instead of (124.2),
H 1 (p -
= 2m ce)2
A + e4>(r) + V(r) (125.2)
where 4> is the scalar electromagnetic potential, and V(r) any other
potential due to non-electromagnetic forces (e. g. nuclear forces). This
i. e. the correct expression for the Lorentz force acting on the particle of charge e.
Problem 125. Introduction of a magnetic field 323
_ ~ at/l = H.I.
i at 'I'
with (125.3)
As
V A t/I = t/I div A + A . Vt/I,
this may be simplified to
h2 eh e2
H= --2 V2 +-i(A'V+!divA)+-22A2+eP+V. (125.4)
m me me
In the classical theory of the Maxwell field it is further shown that
the vector potential A and the scalar potential P may be subjected to
the simultaneous gauge transformation
(125.5)
eli
+ -i{A Vt/I+it/lA VIX+ Vx Vt/I+it/lVX VIX+tt/l(V A)+tt/lV2X
me
+ ~
2me
{A 2+2A vx+(VX)2}t/I+(e~ - ~ i) t/I + vt/l.
e
We rearrange the terms and get instead
(125.7 b)
after which there remains
e - i H' t/I' = H t/I - ~ i t/I .
e
Since the other side of the Schrodinger equation (125.3), by the same
transformation, renders
Ii. Ii e Ii
- -;e-Iy,/= - -;(y,+iat/l)= - -;y, - -it/l,
I I e I
where the last term will cancel on both sides, Eq. (125.3) again emerges
in the primed quantities. This proves the gauge invariance of the theory
if t/I is transformed according to (125.7 a, b).
To derive the current density for the SchrOdinger equation with vector
potential, and to prove its gauge invariance.
Problem 126. Current in presence of a magnetic field 325
2m me 2
1.)
- -1'12 V2 t/I. - -el'l I. ( A V + - div A t/I.
e2 ) 1'1 at/l
+ ( 2me2 A 2+e4)+V t/I.= +i at (126.1b)
- ~
2m
(t/I. V2 t/1- t/I V2 t/1.) + ~ i{A V(t/I t/I)+ t/I. t/I dinA} = -~ ~ (t/I. t/I).
me I at
Since
t/I. V2 t/1 - t/I V2 t/1. = div(t/I Vt/I - t/I Vt/l)
and
A . V(t/I t/I)+ t/I. t/I div A = div(A t/I. t/I),
the left-hand side may be written as the divergence of a vector field.
Keeping the dermition of probability density,
p = t/I. t/I (126.2)
we thus arrive at an equation of continuity,
op 0
dIVS+-at= (126.3)
A'=A+VX; (126.5)
326 One-Body Problems without Spin. The Magnetic Field
we find
(t/I* Vt/I - t/I Vt/I*)' = t/I*(Vt/I + i t/I Va.) - t/I(Vt/I* - i t/I* Va.)
= (t/I* Vt/I - t/I Vt/I*) + 2i t/I* t/I Va.
and
- 2i!.. (A t/I* t/I)' = - 2i !.. (A t/I* t/I + t/I* t/I VX)
lie lie
1i2 eli
- - V2 u --i(A V)u+
2m me
Vu= Eu. (127.1)
Here A has been taken in a gauge making divA =0. This can, for an
homogeneous field ~ in z direction be done by setting
Ax = - t-*'y; (127.2)
Then,
A Vu =
1 (au
I-*' x oy - y ox
au) = I-*'
1 au
oqJ (127.3)
1i2 2 eli
- - V U----*'I-+
.ou Vu=Eu. (127.4)
2m 2me oqJ
The magnetic term may as well be written in the form
e
-~'L (127.5)
2mc
Problem 127. Normal Zeeman effect 327
as perturbation. The first-order energy shift then is the diagonal element of Wmag
formed with the unperturbed eigenfunctions,
-f
AEn,I,,, = (n,l,1l1 Wmag In, l,ll)
For one bound electron without spin in a central field, formulae shall
be derived for the paramagnetic and diamagnetic susceptibilities.
Solution. If a magnetic field .Tt'liz is applied to the atomic electron
under consideration, having the hamiltonian H o' we get
eli e2
H=Ho - -iA V + __ A2 (128.1)
me 2me 2
if the vector potential is normalized to vanishing divergence. This
can be achieved with
(128.2)
so that
H=Ho elii.Tt'
+- - (0y - - x-
0) + __
e2 '_(X2+y2)
.Tt'2
me 2 ox oy 2me 2 4
or
e .Tt' e2 .Tt' 2
H=Ho + - - Lz + --2 r2 sin 2.9. (128.3)
2me 8me
The magnetic energy perturbation, up to second order, in a state
In) (where nstands for all quantum numbers ofthe electron state) becomes
1 (n' I e.Tt' L z In) 12
.1En=(nl e.Tt' L,. + e2.Tt': r 2 sin2.9 l n)+I' 2me
2me 8me n' En-En'
(128.4)
Let all the atoms of a substance be in their ground state (which is a
reasonable assumption since the excitation energy, in general, amounts
Problem 128. Paramagnetic and diamagnetic susceptibilities without spin 329
to several eV's and is thus much larger than the thermal energy available).
Let this ground state have an angular momentum h I, then there may yet
occur any orientation with component hm, in field direction. The first
term in (128.4) then, for one atom, contributes the magnetic energy
eJlf
E(l) = - - hm, . (128.5)
2mc
The number of atoms with angular momentum component m, is, in
thermal equilibrium, proportional to the Boltzmann factor exp( - E(1)/k T)
so that the thermal average of the magnetic energy term becomes, per
atom,
+'
L m,e- aml
eh JIf
E(1) = ~ JIf -,ml,--=...,...-:-'- -- with a = - - --. (128.6)
2mc +'
L
e- aml
2mc kT
ml=-'
For all reasonable field strengths JIf, the dimensionless quantity a is
small (a~ 1) so that the exponentials may be expanded,
All the sums are symmetrical about m, = 0 so that all odd-power sums
vanish and the expression reduces to
where the neglected terms are of the order a2 smaller than the leading
ones. Thus we arrive at the magnetic energy per c. c., with N atoms
per c.c.,
(128.8)
turns out to be much smaller than E(l) (cf. below) so that it really plays
no large role if the first term does not vanish. The same holds for the third
330 One-Body Problems without Spin. The Magnetic Field
term in (128.4). For all 1>0, therefore, the first term suffices, whereas
for 1= 0 the term F}2) determines the magnetic behaviour ofthe substance.
Since
we may write
(128.9)
where 10) denotes a groundstate S wave function and (0Ir2 10) the
expectation value of r2 in this state. No thermal averaging is needed.
The first and third terms of (128.4) vanish for an S state because of
L,. 10) = 0; so we need not consider them.
According to Maxwellian electrodynamics a change of :/f by b:/f
changes the magnetic energy density by
(128.10)
where vIt is the magnetization, i. e. the magnetic moment per c. c. induced
by the field. It is supposed to be proportional to :/f,
(128.11)
the factor X being called the magnetic susceptibility. Combining (128.10)
with (128.11) we get
(128.12)
If X is positive we speak of paramagnetism, if negative, of diamagnetism.
The macroscopic expression (128.12) of the magnetic energy density
must be identified either with (128.7) if 1#=0 or with N times Eq. (128.9)
if 1=0. In the first case we thus get paramagnetic behaviour with the
positive susceptibility.
(128.14)
Problem 128. Paramagnetic and diamagnetic susceptibilities without spin 331
24 With <r2)_(h 2jme 2)2 of the order of the square of the Bohr radius, and
1=1, the numerator of (128.16) becomes me4jh 2=27.2eV.
Practical
Quantum Mechanics
Volume II
III. Particles with Spin
A. One-Body Problems
(129.1 a)
(129.1 b)
(129.2)
2 Particles with Spin. One-Body Problems
If a particle is in the state with Hilbert vector a(p) its spin points in the
positive (negative) z direction.
We now write U x and u y in the general form
(129.5)
so that there yet remain only two matrix elements a 12 and a 21 still to
be fixed. The third commutation relation,
(129.9)
Problem 130. Eigenstates of Pauli matrices 3
To determine the eigenvectors of the operators (Jx and (Jy and to show
that la121 2 = 1 is a necessary condition. What are the properties of the
two "shift operators"
(130.1)
(130.2)
0
(J - ( (l30.3)
x - 1/a
and hence,
2a).
o ' (l30A)
Let
(l30.5)
These relations are compatible with one another only for ..1= 1.
Thus we find the eigensolutions
for Al = + 1:
(130.7)
The probabilities that the spin may point upward (i. e. in the + z direc-
tion) and downward are proportional to the absolute squares of the
factors in front of the Hilbert vectors (X and p, viz. 1:1/laI 2 Since there
is no reason why the one should be greater than the other, it follows that
(130.8)
ax = (01
~} G}tPl=2- t tP2=2-t(_~} (130.9 a)
a -
y -
(0 -i) tPl=r t C}
i
.
0' tP2 =r t ( _~} (130.9b)
a -
z- C tPl =(~}
.
0 -10) ' tP2=G)' (130.9 c)
The three Pauli matrices are hermitian operators, aT = ai' with real
eigenvalues. The two operators
(130.10)
and this cannot be made diagonal for any choice of the real parameters
since sin9 and cos9 never vanish at the same argument 9.
If the operators (J + and (J _ are applied to the Hilbert vectors ex and
Pwe find according to (130.6):
(J+ex=O; (J_ ex=2P; (J+ (J_ ex=4ex;
(J+P=2ex; (J_P=O; (J+(J_P=O;
(130.12)
(130.13)
(130.14)
It is easily seen that all three (J~ are the unit matrix so that
(J2=3(~ ~)
is diagonal with its only value 3 for whatever Hilbert vector we choose,
or-in less sophisticated wording-it is = 3. This can also be seen
from the second form in (130.14) using the relations for (J+(J_ and (J_(J+
given in (130.11).
6 Particles with Spin. One-Body Problems
To show that the three Pauli matrices together with unity form the
complete basis of an algebra.
Solution. If 1, ax, a y, a z form a complete basis, no number outside
the algebra can be generated either by adding or by multiplying any
pair of numbers of the form
(131.1)
with complex number coefficients ai Obviously the rule obtains for
addition, but it still has to be proved for a product of two numbers.
For this purpose we shall construct a multiplication table of the Pauli
matrices.
Let i, k, I be an arbitrary cyclic permutation of the three subscripts
x, y, z, then the a;'s satisfy the commutation relations
(131.2)
and the normalization relations
ar = 1. (131.3)
Besides, the Pauli matrices obey anticommutation rules,
aiak+akai=O (i#k) (131.4)
as may easily be verified. Then, by addition and subtraction of (131.2)
and (131.4), we find the products
(131.5)
Hence, any product of two basis elements leads back again, except for
a complex number factor, to another basis element.
Multiplication table
Ux uy Uz
Ux Ux 1 iu z -iuy
uy uy -iuz 1 iu x
Uz Uz iuy -iux 1
Problem 132. Spinor transformation properties 7
It should be noted that the product of all three Pauli matrices there-
fore simply becomes
(131.6)
Further, another argument may now be added for u + and u _ having
no eigenvalues. From the multiplication table one gets
u1 = (u,, iu-l = u; - u: i(u"uy+ uyu,,) = O.
This is an interesting result showing that in the Pauli algebra the square
of a non-vanishing number may be zero. It is, by the way, corroborated
by the fact that neither for u + nor u _ do any reciprocal numbers exist.
A number N for which the relation
(131.7)
holds is called an idempotent number. Such numbers belong to our
algebra, viz.
t(1 +u i ) and t(1-Ui) (i=x,y,z). (131.8)
In matrix representation we have e. g.
(132.8)
because, using the commutation rules, we find for the left-hand side of
Eq. (132.7), e. g. with i= 1:
~ [0'1' 1:12 0'3 +823 0'1 +8 31 0'2] = ~ {-812 ' 2iO'2 +8 31 ' 2iO'3}
in agreement with the right-hand side. Analogous results are found for
i=2 or 3.
Problem 133. Spin electron in a central field 9
The operator (132.8) can be written in a simpler form using the angles
of rotation in the notation (132.3),
i
~ =2" ~akO"k' (132.9)
(132.10)
(132.11)
(133.2)
. 0 1
-z---
ocp 2
10 Particles with Spin. One-Body Problems
if the Pauli matrices are used for S = ~ tr. We therefore have to solve
the eigenvalue problem
(133.12)
12 Particles with Spin. One-Body Problems
(133.13)
with
X, = rF,(r). (133.14)
NB. The formulae (133.11) and (133.12) may be applied to states with 1=0
if attention is paid to the fact that the spherical harmonics then vanish if mj+i
does not equal zero. Thus we get
./, Fo(r)
'I'.=~
(1)
0
~ I =0,mj=+21
lor
and
1/1.= -~ (~) for I=O,mj=-i
The other function, I/In, vanishes identically in both cases so that no solutions
with negative j are originated. The same results are found by applying the oper-
ators J2 and Jz to a two-component function that depends on the radius only.
if j=I+L and
if j=l-t. It should be noted that Imjl~j, and that for 1=0 the func-
tion 1/1" vanishes identically.
Since (134.1 a, b) do not depend upon the angle <p, the argument
of Problem 61 still holds, so that the non-diagonal elements of the
quadrupole tensor have vanishing averages and that
(134.2)
Problem 134. Quadrupole moment of a spin state 13
with the upper signs for j=l+t, the lower ones for j=l-t and 1~1.
An elementary reordering in the curly bracket leads to
21(1+1)-6 ( m2
J
+-41) +--m
12 2
-21+1 J
<Qzz) = <r2) (21-1)(21+3) , (134.6)
_ 2.1 ( 3m; )
<Qzz)-<r) 2" 1- jU + 1) (134.7)
<Qzz)/<r2 ) for
States j
mj=t mj=t mj = i mj=i
1
St,Pt 2 0
Pt,Dt ~
2 + i -
2
5
5 20
Dj-,Fj- 2 +!..
35 +-ts -35"
7 2 14
F;:,G;: 2 +1Q
21 +261 -21 -21
14 Particles with Spin. One-Body Problems
For the spin electron in a central field there shall be derived the expec-
tation values of all three components of the vectors S, L, J and of the
magnetic moment.
Solution. If
u = (::)
(135.1)
with
(135.3 a)
and
(135.3b)
Problem 135. Expectation values of magnetic moments 15
(sz )=~fdrr21F1(rW(A~
2 2/+1 ).'
-B~)
).'
(135.4)
o
and for the normalization integral
<Xl 00
NB. The last formulae show that a closed subshell (n, l) with either j = 1+ t
or j=l-t has no resultant magnetic moment.
since it depends upon the quantum numbersj and I, it will differ for differ-
ent values j=lt with the same I.
First-order perturbation calculation gives a contribution
to the energy of a level. In the notation of Eqs. (133.11) and (133.12), in the
normalization
00
f
this leads to
00
gll2 1 dV
E'jI = - 2 - 2 {;U+l)-I(l+I)-i} drr 2 /FI(rW- -d . (136.6)
. 4m e r r
o
18 Particles with Spin. One-Body Problems
The energy splitting between two levels of the same I, but with different
j values then becomes proportional to the difference
(l +i)(l+!)-(l-t)(l +i)=2/+ 1
so that
gh 2
AE = -2-2(2/+1)
4m c
f'"
1 dV
drr2IF,(rW--.
r dr
(136.7)
o
The level of the smaller j value is the lower one (normal doublet).
Some estimate of the integral (136.7) may be made by using the
potential
Ze 2 1 dV
V=--; (136.8)
r r dr
Since this expression holds in the neighbourhood of the nucleus in all
atoms, and since F,ocr' in this domain, the integrand in (136.7) becomes
oc r 21 - 1 so that the integral converges for 1= 1,2,3, . .. but diverges
logarithmically for S states (l = 0). As there is no level splitting but only
a shift in an S state, this result is not of primary importance for the eval-
uation of spectroscopic data. The difficulty does not occur in a rigorous
relativistic treatment of the problem (cf. Problem 203).
Without evaluating in detail integrals of the type (136.7) it may
safely be said that the result is of the order of Z e2 /a 3 with a a length of
the order of atomic radii. Since term energies in atoms are of the order
Z e2 /a, we then have roughly
AE/Eoc),2/a 2
with )..=h/mc the Compton wavelength. This is a small quantity,
hence the effect is a fine structure only and may be treated as a first-order
perturbation as has been done above.
(137.1)
t
Problem 137. Plane wave of spin particles 19
describe plane waves in z direction. In the state t/J + the particles have spin
in the direction of propagation; we then speak of helicity h= + 1. In
t/J - we have the opposite spin direction, h = -1. If we decompose these
spinors into eigenspinors of angular momentum, we have m, = 0 in
both cases and m j = +! for t/J +, m j = -! for t/J_.
It has been shown in problem 133 that, for a given orbital momentum
I, there exist two eigenspinors of Jz and J2, viz.
and
(137.3)
(137.4)
The plane wave then shall be composed of solutions (137,2a) and (137.2 b)
in the form
00
t/J + -_ -1 ~L...
1 .
j,(k r)
((AlVi+l +B,Vi) Y"o ) . (137.6)
kr 1=0 V2/+ 1 (-A,VI +B,Vi+l)Y"l
In order to make the second line of the spinor vanish according to Eq.
(137.1) we have to put
(137.7)
so that
(137.8)
20 Particles with Spin. One-Body Problems
. 1
L V 41l(21+ 1)iljl(kr) YIO
00
e'tz = - (137.9)
kr 1=0
there follows
(137.10)
so that
00
Now, according to (137.1), the first line of the spinor should vanish, i.e.
A free electron is put inside a cavity in which there exist two magnetic
fields, viz. a constant homogeneous field ~ in z direction, and a field
:Ye' rotating in the x, y plane:
~ =0; ~ =0;
(138.1)
.Jff; =.if' cos (J) t ; ~' =.Tf' sin (J) t ;
At the time t=O, the electron has its spin in +z direction, and the field
:Ye' is switched on. The probability P of the electron having its spin
inverted into the - z direction shall be determined as a function of time.
Problem 138. Free electron spin resonance 21
- ih -it
0. 1, I"
= Jl {'OUz +2"(e-'COI u + +e,col u -}} 1/1. (138.2)
and
(138.9)
22 Particles with Spin. Two- and Three-Body Problems
Solution. Let OCn' Pn be the Hilbert basis vectors for the neutron,
and ocp' Pp for the proton. Then the spin function X of the two-particle
system is bound to be of the form
X = A ocnocp+BocnPp+ CPnocp+DPnPp. (139.2)
From the definition of the spin operators (Problem 129) it follows that
2
h SzX = (O"nz+O"pz)X = Aocnocp+BocnPp-CPnocp-DPnPp
We find
O"nxO" pxX = A PnPp+ B Pnocp + C ocnPp+ Docnocp;
O"nyO" pyX = - A PnPp+ B Pnocp + C ocnPp- Docnocp;
O"nzO" pz X = A ocnocp- B ocnPp- C Pnocp + D PnPp
and thence,
(iY S2OCnc p = 8OCnIXp; (139.4a)
The functions cx,.cxp and PnP" therefore are eigenfunctions to the eigen-
value 21i2 of the operator S2. In the usual notation,
(139.5)
I~ ; A; _: I = 0 or 1 - A= 1.
The two eigenfunctions of S2 with 8.=0 therefore become
8= 1; (139.6 a)
8 = O. (139.6b)
The results have been collected in the following table where the
functions have been normalized according to the rules
(cxlcx) = (PIP) = 1; (cxIP) = O.
Triplet, S = 1 S.=+1
(symmetrical o
spin function) -1
Singlet, S = 0
(antisymmetrical S.= 0
spin function)
NB. From (a. + a 1')2 = 6 + 2(a . a1') it follows that the triplet and singlet spin
functions, say Xt and X.. given in the table, are eigenfunctions also of the operator
(a.a p) so that
(a.ap)xt=Xt; (a.ap)X.= -3X.
(140.2 a)
and for the antisymmetrical singlet state, X.(sn, sp) = - X.(sp, sJ,
(140.2 b)
Hence both kinds of functions are eigenfunctions of the exchange
operator, with its respective eigenvalues + 1 and -1. As the three
triplet and one singlet functions form a complete orthogonal set,
Eqs. (140.2a, b) explain the exchange operator completely and uniquely.
An interaction energy
V= V1 (r) + V2 (r)Enp
yields, according to (140.2a, b),
V Xt = (V1 + V2) Xt ; V x. = (V1 - V2) x.
so that
v, = V1 + V2 and Y, = V1 - V2
are the interactions in the triplet and singlet states, respectively. Thence,
V = !<v,+ V.)+!(v,- V.) Enp. (140.3)
b) At the end of the preceding problem we have shown that the spin
functions Xt and X. are eigenfunctions also of the operator ((In(lp), viz.
(140.4)
26 Particles with Spin. Two- and Three-Body Problems
It follows that 1:np may be expressed linearly by (O'n' 0' p)' Indeed,
leads to the wanted eigenvalues (140.2 a, b). Again, since there exist no
other spin functions of the two-nucleon system, both operators are
completely described by the eigenvalue problems (140.2a, b) and (140.4)
so that (140.5) holds in full generality.
Replacing 1: np in (140.3) according to (140.5), we arrive at the result
(140.6)
To show that the operator (0'1' 0'2)" for two particles 1 and 2 can be
linearly expressed by (0'1' 0'2)'
Solution. The operator (0'1' 0' 2) is completely described by the two
eigenvalue relations
(141.1)
for the three triplet and one singlet spin functions since these form a
complete orthogonal set. It therefore suffices to investigate the applica-
tion of (0'1 '0'2)" to these four spin functions. By iteration of (141.1) we
get at once,
(141.2)
It follows that
(0'1' 0'2)" = A + B(O'I . 0'2) (141.3)
can be linearly expressed by (0'1 '0'2)' Putting (141.3) in (141.2) we find,
according to (141.1),
(A +Bht = Xt; (A -3B)Xs = (- 3)"Xs'
It follows that
A + B = 1; A - 3 B = ( - 3)"
or that
A = H3+( -3)"]; B = Hl-( -3)"]. (141.4)
Thus, e. g., we get
(0'1'0'2)2 = 3-2(0'1'0'2); (0'1'0'2)3 = -6+7(0'1'0'2)'
Xl'l )
0' + ( Xl,O = 20 (0)
Xl,l ;
XI,I )
0'_ ( XI,O =20 (XI'O
Xl,-l
)
;
XI,-l XI,O XI,-l
0' z ( XI,O - 2 .
Xl,! ) _ ( XI,I )
(142.6)
Xl,-l - XI,-l
28 Particles with Spin. Two- and Three-Body Problems
where the constant amplitude factors AI, BI, CI may be determined from
the following set of linear equations
[1(1+ 1)+2m-jU+ I)]AI - V2(1+m)(l-m+ I)BI = 0;
- V2(1+m)(/-m+ I)AI+ [/(/+ 1)+2-jU+ 1)]BI- V2(/+m+ 1)(l-m)CI=O;
- V2(1+m+ 1)(I-m)BI+ [1(1+ 1)-2m-jU+ 1)] CI = O.
(142.11)
The determinant of these equations must vanish; if it is expanded, one
finds that it becomes independent of m and has the form
[1(1 + 1)-iU+ 1)] {[I(I + 1)- jU + 1)]2 + 2[1(1 + 1)-jU + 1)] -41(/+ I)} =0.
j AI BI CI
(I+m+l)(l+m) (I+m+ 1)(I-m+ 1) (I-m+ 1)(I-m)
1+ 1
2(1+ 1)(21+ 1) (1+1)(21+1) 2(1+1)(21+1)
(I-m+l)(l+m) m (l+m+l)(l-m)
21(/+ 1) VI(I+l) 21(1+ 1)
(143.1)
With
(Xiy)2 = ,2 sin 2 .ge2iq>; X2 +y2 = ,2sin 2.9;
(x i y)z = ,2 sin.9 cos.9 eiq>; Z2 = ,2 cos 2 .9,
this leads to
(0'1 r) (0'2 r)
,2 Xo,o = -Xo,o (143.6)
Problem 144. Deuteron with tensor interaction 31
The second term of T12 has already been discussed in Problem 140:
1/1 = f(r) YO,OX1,1 +g(r){Y2,OX1,1 + 0" Y2,lXl,0 +V6 Y2,2 Xl, -d (144.5)
The curly bracket in (144.5) is the same combination of spherical
harmonics and spin functions as was obtained in the first line of Eq.
(143.9) ofthe preceding problem, so that we may write in a more compact
vh
form:
1/1 = {f (r) + i VS g(r) Tpn}xl ,1 (144.6)
vh
and
Here, if applied to a triplet spin function, X" the operator Tin may be
linearly expressed by Tpn , viz.
(144.11)
S~n={~(ap.r)(an.r)r =1.
Since we already know (p. 24) that (ap a,.) Xt = Xt we find
T~=(Sp.-W = I-jSp.+!=1i-j(Tpn+i)
in perfect agreement with (144.11).
{
20 .
cosw(-V 2 +T{-E)t/ls+-3- smw V;t/lD Xl,l }
+ {sinw [2~ (_V2 + l{-E) - ~ V;] t/lD+COSW V;t/ls} TpnXl,l = O.
(144.12)
The operator Tpn in the second line, when applied to Xl,l' yields only
terms with 1=2 orthogonal to those with 1=0 in the first line. We
2r
may therefore decompose (144.12) into two coupled radial equations, viz.
2r
and
(145.1)
(145.2)
(Qzz) = ~
spin
fd'rQzzll/l1 2
(145.3)
Wn f f
co
<Qzz) = -1
2
-
5
drr 4 dO Y 2 o'
'
{I ,
.
coswt/ls Yo o+smw--
t/lv Y2 0 12 +
VW'
o
1
J
,( 2
dOYo,olY2 ,ol = ~
f dO Y2,olY2,ol2 = ~w.,
f dOY2 ,olY2 ,l1 2 =
"11W.
4n'
(145.5)
f dOY20 IY22 12 = - -
"
2W.
-.
7 4n
1 1
<Qzz) = - - A cosw sinw - -Bsin 2 w. (145.6)
50 20
of which only the first part will contribute to the magnetic moment
whereas both terms contribute equal parts to the orbital momentum
about the center of mass. Therefore only ! Lz enters the orbital part
of the magnetic moment,
spin
X{J-lp(UXt,t +VXo,o-WXt,-t)
+J-l,,(UXt,t-VXo,o-WXt,-t)
+ J-lorbit(U Xt,t + V Xt,O + WXt, -t)}
and, by using the orthonormality of the spin functions,
J
(J-l) = d-c{u*(J-l,+ J-l,,+ J-lorbit)U+ v* J-lorbit V+ w*( - J-l,- J-l,,+ J-lorbit)W}.
Now we have (cf. (144.5)
u=/YO,o+gY2 ,o; v=V3"gY2 ,t; w=V6"gY2 ,2
and therefore
so that
Application of this operator to the first and last of the four spin functions
(146.2) leads to
S2 X(!) = (%Y {3 X(!)+4[ A<71 <72 P3 + BPI <72 <73 + C <71 P2 <73]
+4 [A <71 P2 <73 + B <71 <72 P3 + C PI <72 <73]
+4 [API <72<73 + B<71 P2 <73 +C <71 <72 P3]}
7 A+4B+4C=4S(S+ 1) A;
4A+7 B+4C=4S(S+ 1) B; (146.8)
4A+4B+ 7C=4S(S+ 1) C
the determinant of which must vanish. This gives a cubic equation for
the eigenvalues S(S + 1) possible with the solutions
(146.9)
(3 1) V31
X - , - =-(ala2P3+ alP2 a 3+Pla2 a 3);
2 2
3- -1) 1
X(-, = -(PIP2 a3 +Pl a2P3 +alP2P3);
(146.10)
2 V3 2
x(%,-%)=PIP2P3'
Besides this solution which corresponds to the four orientations of
spin} in the vector model, the double solution S=t put in (146.8)
leads three times to the same relation,
A+B+C=O;
Two doublets, each with S=t, are still mixed up in these formulae
and are still degenerate.
It is usual to decompose and normalize the doublets by the two
assumptions
1 1
A=B=- and A=-B=-. (146.12)
116 V2
With the first assumption the doublet becomes
(146.13)
40 Particles with Spin. Two- and Three-Body Problems
X2
1 1)
( 2' 2 = V21 !Xd!X 2 P3-P2!X3);
(146.14)
X2 (~, -~) = ~ PdP 2 !X 3-!X2 P3);
it is antisymmetrical in 2 and 3 (in symbols: 1,23).
Of course, it is quite arbitrary to select just particles 2 and 3 as
affecting simple symmetry properties. By another choice of A and B,
e.g. B= -tA, a function of symmetry 12,3 would have been obtained.
Only further conditions imposed on the solution in special problems
can lead to the dissolution of this remaining degeneracy.
Let the particles 1 and 2 of the preceding problem be the two protons
of an hydrogen molecule and 3 be a slow neutron with its de Broglie
wavelength large as compared to the nuclear distance. The scattering
cross section shall be determined for para and orthohydrogen, serar-
ately, with the central-force n-p interaction (cf. Problem 140)
(147.1)
(147.2)
Quartet,
spin t,
o-H 2 , (147.3)
12 n
(147.4)
1) =
Xp (-21 ,+ -2 1 ~ (al /32 - /31 ( 2)an } D~ub~et,
V2 spm 2'
1 1) 1 -.-H 2 , (147.5)
Xp ( 2',-2' = V2 (al/32-/31 a2)/3n 12,n
and
3=9-6+2("n'''1 +"2) for para hydrogen doublet
or
2 for orthohydrogen quartet
("n,"l +"2) = { -4 for orthohydrogen doublet (147.8)
o for parahydrogen doublet.
42 Particles with Spin. Two- and Three-Body Problems
t(V; - Y.)} V; {2
for quartet, 0 - H2
V=t(3V;+y')+ { -(V;-Y.) = tV;+!Y. fordoublet,o-H 2 (147.9)
o !V;+tY. for doublet, p-H2
Turning to the scattering question, we need only consider the
limiting case of zero energy where the scattering length a is linearly
connected with the potential depth constant as long as the potential
hole is "small". It should, however, be noted that this is rather a crude
assumption in the real neutron-proton interaction case. Making this
approximation, we get the elastic scattering cross sections
NB. The best values for the scattering lengths a, and a. of the two-nucleon
problem are 1 a, = + 5.39 fm and a. = - 23.7 fm. Inserting these values into Eq.
(147.10) yields CTortho= 55 barn and CTpara = 1.71 barn. The characteristic feature
of this somewhat rough result is- the amazingly small value of the parahydrogen
cross section. This is fully borne out by experimental evidence with thermal neutrons.
The para cross section would vanish entirely with a. = - 3 at; its smallness shows
that anyhow a. must be large and have the opposite sign to a,. The triplet scattering
length must be positive in order to allow for a 3S bound state, the deuteron. Hence,
a. < 0 so that no 1S bound state can exist. It should be noted that this sign can only
be determined by interference experiments of the kind described, not by scattering
of neutrons at isolated protons producing incoherent waves.
Our results apply to the limit of energy zero whereas, in experiment, the neutrons
still have a few hundredths ohln eV energy. Their wavelength therefore is not so
very large in comparison with the molecular distance between the two protons.
This causes inelastic transitions with parity change in the molecule between the
rotational states J = 1 of ortho, and J = 0 of parahydrogen. They occur because
r.l *rnz so that, with the abbreviation Hvt - VJ= U(r), we have for the spin
dependent part of the interaction,
U(ral )(/1./1 1)+ U(rnZ)(l7n/12)=t(U(ral )+ U(rn 2 (/1",/11 +/1z)
+t(U(ral ) - U(r.Z(/1",/11-/1Z)
In consequence of the last term, the functions (147.3) to (147.5) no longer remain
eigenfunctions of the potential; it is this last term that induces ortho-para transitions.
A. Few Particles
(148.1)
(148.2)
(148.3)
a a 1 a a a 1 a
-=-+-_. -=--+--
a<Pl arx 2 ap' a<P2 arx 2 ap
2 a2-
- -112 (a- U2 + -1 - U) + VocosrxU=EU.
mr2 arx 4 ap2
Factorization now becomes possible into
U(rx,p) = u(rx)v(p) (148.4)
44 Many-Body Problems. Few Particles
(148.6)
with
(148.7)
The absolute motion can be determined from (148.6). The total
orbital momentum operator of the two-particle system is
h(O 0) ho
L = i OCPl + OCP2 = i op
so that (148.6) may as well be written
1
-Uv=E 'v (148.6')
28 p
with 8 =2mr2 the total moment of inertia of both particles. Eq. (148.6')
therefore is the eigenvalue problem of the operator of rotational energy.
Since (148.6) is solved by
v=e iMP ; M=O,1,2,... , (148.8)
the eigenvalues of the rotational energy become
(hM)2
Ep = 28 (148.9)
function of q>, there are two symmetry types of solutions, even and odd.
Their periodicity permits Fourier expansion so that we have
It is usual to denote the eigenvalues of A. by ao, al' a4, ... for even and
by bl , b4 , .. for odd solutions l . It is shown in the theory of Mathieu
equations that the eigenvalues may be ordered in a sequence
(148.12)
",
~r-~r---r-~~~----~~
~~ ___
20~--+-~~--~--~--~--~
~~r---r-_
~~~~~--t-~---t~~
4
o~~~~~~~~~~~--~
-20 t---+-----+--"cl----+---~--___l
-30 ~--+----+---~--"*--~--____l
Fig. 61. Eigenvalues (1) for different potential hole depths (q), both in dimensionless
scale as defined in Eq. (148.10). The two straight lines mark the potential maximum
and minimum
{ liz [( 1 1 ) OZ ( 1 1 ) OZ 2 OZ J
-2 m1 + mz ou z + mz +m3 ov z - mz OUOV
The cross term, OZ/OU ov, in the kinetic energy makes factorization
impossible in these variables. If, however, we introduce a "rotated"
system,
U'= U cosex+ v sin ex,
(149.4)
v' = -usinex +vcosex
it is possible by a suitable choice of ex to make the term with OZlou' ov'
vanish, whereas the potential energy remains invariant under this trans-
formation:
UZ+ VZ= u'z + v'z .
The Schrodinger equation thus becomes
+(2.+..!..)(sin Zex
mz m3
oZz+2sinexcosex~+coszex
ou' ou' ov'
OZz)
ov'
- ~(cosex
m
sinex oozz + (coszex- sinZex)~ - cosex sinex OZz)J
od
z ~ o~od
( _1 _ ~)sin2a: = ~cos2a:
m3 m1 m2
or
2mlm3
tan2a: = --'---'-- (149.6)
m2(m 1 -m 3 )
-1 = (1
A
-
ml m2 m2
. a: + - + -1)'2
+ -1) cos 2a: - - 2 cos a: sm (1
sm a:
m2 m3
and (149.7)
~B = (~
ml
+ ~) sin
m2
2 a: + ~ cos a: sin a: + (_1 +~) cos2 a:
m2 m2 m3
the Schr6dinger equation is now much simplified:
(149.8)
The eigenvalues of these two harmonic oscillators are well known (cf.
Problem 30), viz.
E... = hw... (n ... +!);
(149.11)
EB = hwB(nB+i);
Eqs. (149.6) and (149.7) to determine A and B from the masses and (149.11)
for the energies and frequencies form the solution of the problem.
We now proceed to a closer inspection of these formulae in the
normal case m1=m3 (equal oxygen isotopes) for which, according to
(149.6), a:=1t/4. The mass constants A and B then follow from (149.7)
1 1 1 1 2
-=- -=-+-.
A m1 ' B m1 m2
50 Many-Body Problems. Few Particles
Thence,
(149.12)
Since w... does not depend on m2 it may be concluded that the carbon
atom stays at rest in mode A vibrations and, since the centre of mass is
supposed not to move, we must have a symmetrical vibration as indicated
in Fig. 62 a. On the other hand, it can be shown that mode B vibrations,
o
...-- b)
a)
Fig. 62a and b. The two valence vibrational modes of CO 2 No bending vibra-
tions are considered in this problem
for which the carbon atom takes part in the motion, will become anti-
symmetric as shown in Fig. 62b. To translate this classical description
of normal vibrations into quantum mechanics, we construct the wave
functions according to (149.9). In the ground state we have (in arbitrary
normalization)
( AW...)
"o(u',v')=exp _~U'2 exp (BWB)
-2h""V'2 , (149.13)
both factors having a sole maximum at u' =0 and v' =0, respectively,
where
1
u' = -(X3 -xl-2a);
Vi
The zero-point vibration therefore occurs about the positions
Xl + X3 = 2 X2 with the carbon atom halfway between the two oxygen
atoms, and X3 - Xl = 2a, i. e. both oxygen atoms a distance 2a apart
from each other. The most probable position of the ground state there-
fore is just the classical equilibrium position.
If the A mode is excited to, say, its first excited state, a factor u' is to
be added to "0. Since a function
Problem 150. Centre-of-mass motion 51
has two maxima of opposite signs at u' = ,1. -t, we now have the most
probable positions shifted to
The most probable position in which to find a vibrating particle has its
classical equivalent in the two turning points where its time of stay is
longest. The two maximum values of u' in (149.15) therefore mark some-
thing like the classical vibration amplitudes. The condition v' = 0 shows
that the carbon atom most probably still lies halfway between the two
oxygen atoms, but these are now alternately at a smaller or at a larger
distance apart from each other, just as indicated on Fig. 62a.
If, on the other hand, the B mode is excited we have inversely for the
maximum
BWB
Jl = -",- (149.16)
so that the most probable distance between the two oxygen atoms
(X3 - Xl) remains 2a as in equilibrium, both being shifted to and fro
with respect to the carbon atom as indicated on Fig. 62 b.
-=-
a my a
-+-
a (v=I,2, ... ,N-l);
aXy M ax a~y
a mN a a
aXN= M ax - ~ a~A
and
where the sums over Greek subscripts run from 1 to N -1. The essential
feature of this result is the cancelling of all mixed derivatives 02/0 x a~ A
permitting separation of the hamiltonian,
(150.3)
(150.4)
(150.5)
with
(150.9)
(H,+V)u=E,u; (150.10)
Eo+E,=E. (150.11)
Eq. (150.9) is solved by the plane wave
(150.12)
112 { 1
H, = - -2 -
2 1
VI + - VI
2} + V12(~1>"h'I)' (150.13)
ml m2
Introducing, as in classical mechanics, the reduced mass m* by putting
1 1 1
- + - = -; (150.14)
ml m2 m
and omitting the subscripts of the relative coordinates (and of V 12 ),
we arrive at
112
- - V 2 u+ V(~,,,,O u=E,u, (150.15)
2m
i.e. at the Schrodinger equation of an equivalent one-body problem.
NB. In Problem 67, the hydrogen atom has been treated as a one-body problem
with its nucleus at rest. According to Eq. (150.15), we should more correctly intro-
duce the reduced mass m* of nucleus and electron, instead of m, the mass of the
electron. No other change is required to take account of the participation of the
nucleus in the relative motion about the centre of mass. Since the nuclear mass,
say M, is very large as compared with m, Eq. (150.14) leads to
m*=m(1 - :),
approximately. Comparing e. g. the red spectral line H (n = 3 -+ n = 2) of the hydro-
gen atom with the frequency
54 Many-Body Problems. Few Particles
1i 2 N 1 1 NNe. e
-- L- Vr'l' + - L L..!....!. '1' = E '1' (151.1)
2 i= 1 mi 2 i= 1 k= 1 rik
(151.2)
Kinetic and potential energy of the system in a state '1' may be com-
puted from the formulae
(151.3a)
and
(151.3b)
A scale transformation,
(151.4)
keeping (151.2) intact, means that the wave function
Problem 152. Slater determinant 55
is replaced by
'P .. =A 3N/2 'P(A.rl,Ar2' ... A.rN). (151.5)
When introducing (151.5) into the energy expressions (151.3a, b) and
passing over to the new variables (151.4), we find
1 1
Vf=A 2 V? -=A-
r ik r;k
so that instead of the true energy of the system
E=Ekin+Epo"
we obtain
(151.6)
This function of A apparently must be a minimum when we select from
the set (151.5) of functions the correct solution of the SchrOdinger
equation, i.e. for A= 1. Therefore,
OE(A)
~= 2AEkin+Epot
(152.3)
(152.4)
Let us now single out of (152.4) one term, D., acting only upon
functions of the v-th particle coordinates and spin. Any other coordinate
set, say J.I., will then occur in some other function, say Uj' in both permu-
tations P and pi, because in any other combination the term would
vanish by the orthogonality of the single-particle functions,
(152.5)
Now, in the wave function 1/1 a factor uj(v), with fixed i and v, is combined
with a determinant of rank N - 1. Therefore there still remain, among
a total of N! possible permutations, (N -1)! permutations of the re-
maining N -1 functions except uj over the remaining N -1 particles
except v. Hence,
N
(I/IID.II/I)= ICl 2 (N -1)! L (uj(v)ID.luj(v. (152.7)
j= 1
This result, of course, will hold for whatever term D. we pick out of the
sum (152.3), so that in (I/IIDII/I) we have a total of N equal expressions
of the form (152.7). Hence,
N
("'1",)=1 (152.9)
(153.1)
shall be determined.
58 Many-Body Problems. Few Particles
All functions u" with arguments neither p. nor v must be identical pairs
in P and P' if the corresponding term in the sum is not to vanish. There
being N - 2 such pairs of functions of as many arguments, there still
remain (N - 2)! permutations among them. If these all are identical in
P and P', only one pair of functions, say u;u j , will remain for arguments
p. and v in each non-vanishing term of (153.2),
(N -2)!
I
I
(1/II.o/lvll/l) = {(u;(p.)uiv)I.o/lvlu;(p.)Uj(V)
N! ;j
(153.3)
In the first, classical term of the curly bracket, the permutations P and
P' coincide completely, even with respect to p. and v, in the second,
exchange term one different permutation (ij-+ji) just changes the sign.
Let us now consider the sum (153.1) of such operators. Then,
1
(1/11.011/1) =
2N(N -1)
I'
/lV
I' {(u;(p.)uj(v)I.o/lvlu;(p.)uj(v)
ij
- (uj(p.)u;(v)I.o/lvlu;(p.)uiv)}. (153.4)
Here p. and v are dummies so that the sum I' consists of N(N -1) equal
/lV
terms (fl, v and v, p. here being counted as different terms). Thence, the
expectation value wanted, becomes
(1/11.011/1) = tI' {(u (l)uP)I.od u;(I)uj(2)
i
ij
(153.5)
Use of the symbols 1 and 2 is, of course, quite arbitrary.
It should be emphasized again that here and in the preceding problem
each single-particle wave function U i comprises space as well as spin state.
( - -1 V2
2 - -
IX) u(r2) = 1
- -0: u(r2)
2
2 r2 2
so that
H U = {( _ .!. 0: 2 _ Z -0:) + (_ .!.2 1X2 _ Z -0:) + _1 } U
2 r1 r2 r12
and the energy becomes
(154.4)
(154.5)
-1 Lco (r )n p,,(
-2. cos 8)
co (r )n
1 { r2 n=O r2
r;;= -r1 L ~ P"(cos8)
1 n=O r1
Then only the first term of the expansion (n = 0) contributes to J, and
we obtain
With d7:2 =41tr~ dr2 and 0;:5;r2 < 00, all the integrations become elemen-
tary again and lead to
(154.7)
The energy expression (154.5) with the integrals (154.6) and (154.7) then
becomes
(154.8)
Up to this point, we have not yet disposed of the value of oc that we
now choose optimally in the sense of variational calculus putting
dE
doc = O. (154.9)
That leads to
rI.=Z--h (154.10)
and
(154.11)
It should be remarked that this value of ex makes (154.2) the exact solution of
the hamiltonian
H o= - -(VI
1 2 +V22 )-ex (1- + 1)- (154.12)
2 'I '2
which permits factorization. Comparing (154.12) with (154.2) we find
In all these cases, it is not E itself which has been observed, but the
ionization energy I necessary to strip the ion of only one of the two K
electrons. The remaining ion, keeping only its last electron, then has
the energy
E'= _tZ2
so that the ionization energy becomes
I =(Z - 156)2 _tZ2 . (154.13)
The accompanying table shows that the agreement of Eq. (154.13) with
experiment improves continuously with increasing Z. This is reasonable,
because the role of the interaction term l/r12 becomes less important
as the coupling of each electron to the centre becomes stronger with
increasing Z.
I in eV
Z exper.
theor.
2 23,2 24,5
3 74,1 75,6
4 152,2 153,6
6 390 393
8 737 738
In a neutral helium atom let one electron be in the 1 s ground state and
the other in an n, 1 excited state (n~2, I~ 1). The ionization energy for
the (n, 1) electron shall then be determined for both, ortho and parahelium
using hydrogen-like wave functions with screening of one nuclear charge
by the 1 s electron. The method shall be applied numerically to the 2p
state (n=2, 1= 1).
Solution. If the 1 s electron is exposed to the full nuclear charge 2 e,
but the (n, 1) electron only to the screened charge e, we may describe
the two one-electron states by solution of the differential equations
with
(155.2)
1
E =--
n 2n 2
and Rnl the normalized radial functions of the hydrogen atom (see
Problem 67).
The Schrodinger equation of the two-electron problem
I 2 --V
{ --V 1 2 --
2 --
2 +-
I} I/I=EI/I (155.3)
1 2
2 2 rl r2 r12
shall be approximately solved by the symmetrized product wave function
Since for all one-electron states the virial theorem (cf. Problem 151)
leads to E pot =2E, we obtain
1 1
<nl-In)= -E';:!t= -2E n =z
r n
Thus, finally, Eq. (155.5) leads to the energy expression
3
E=-2--+~+e8 (155.6)
2n 2
Problem 155. Excited states of the helium atom 63
(155.9)
When first performing the integrations over the polar angles, we have
to calculate the integrals
CCang =d0 2 1 Y1,m(2W dOl PA(cos9d (155.10)
and
(155.11)
In CCang ' the inner integral becomes 4n(jA,O so that of the series (155.9)
there remains only a contribution from the term A. = O. The classical
interaction therefore is
'll' ~ 4. I
o
d" ,llu(,,)1' {:, I
0
d" ,11R",(,.lI' +
'2
I 1.
d,. ,.IR.,(, .)1
hI55.12)
In order to calculate the inner integral of (155.11) we use the spherical
harmonics addition theorem,
(155.13)
then
and
(155.14)
64 Many-Body Problems. Few Particles
&' = ~
21+1
f<Xl dr2 d u(r2) Rn/(r2 ){2. f dr ri (~)/ u(r
r2
r2
1
r2
1) Rn/(r 1 )
o 0
I
+ d"" (::)' U(")R.,(,+ (\55J5)
The higher the values of nand 1 of the excited electron, the more
will our approximation improve because of decreasing overlap of the two
one-electron wave functions. Except therefore for S states, the method
will be worst for n = 2 and 1= 1, but may be well trusted elsewhere if in
that special case it produces reasonable results. We therefore now proceed
to calculate the energy for this special excited state of the helium atom
and compare the result with experimental evidence.
The normalized radial function Rn/ then becomes
1 -~
R2 1 = --re 2, (155.16)
V24
and the radial integrals (155.12) and (155.15) can easily, though in a
somewhat cumbersome way, be evaluated using (155.2) for u and (155.16)
for R 2 1 The results are
C = *(1 - 3 g 5) = 0.24896
and
This leads to
E= -2.12604+1:0.00382
1= E+ - E=0.12604 -1:'0.00382
or
1= (3.429 -1:,0.104) e V.
ionization energy in eV
theory experiment
situation thus being the opposite of the one in the H2 molecule (Problem
163). This can easily be verified in our calculation where the integral 8,
Eq. (155.8), gives the only contribution depending on the sign 8; and
since it derives from the mutual repulsion of the two electrons, 8 is
positive, thus raising the energy level for 8= + 1.
(156.1)
(156.2)
Of the function for the ns state we know only that it does not depend
on angles, and that it too is supposed to be normalized,
1 2 2 1 2 2
(lnl--V 2 --11n)=(n\--V --\n)=Kn;
2 T2 2 T
1221222
(Inl--V1--ln1)=(ln\--V2--lnl)=-2S. (156.9)
2 T1 2 T2
(156.12)
f
with the operator
1 2 2 ,u(r)2
Q= --V --+ dr - - . (156.14)
2 r Ir-r'l
The choice of such a normalized function In) as makes E a minimum
is performed by variation,
bnIQln) +A<nln)=O
with a Lagrange multiplicator A. Since
energy 1= -(K 2 +16')=0.145 atomic units or 1=3.94 eV. If, with the
same value of p, the full energy expression (156.11) is evaluated we find
0,145 -0,021 6 . .
1= atomIC umts
1 +0,02256
and arrive at the tabulated results. The theoretical approximation,
{1
H= --(V1+V2)-3
2
2 2
-+- +-
r 1 r2 r 12
(1 1) 1}
+ {_ ~ V~ _~} + {_1 + _1 _~} (157.1)
2 r3 r13 r23 r3
where the first curly bracket corresponds to the two-electron problem
of Li +, the second bracket leads to the 2 s function of the third electron
in the field of the screened nucleus ofrest charge 1, and in the third term
the remaining interactions are assembled. The treatment of the third
electron thus indicated would be quite correct, were the radius of the K
shell very small compared to the extension of the 2s wave function;
since it is not, the use of a hydrogen function with central charge 1 for
the third electron is an approximation.
We write the eigenfunction in product form
U(1, 2, 3) = u(1) u(2) v(3). (157.2)
70 Many-Body Problems. Few Particles
and
Vn
a =Z - 156 =2.6875 (157.4)
the effective nuclear charge originated by the mutual screening effect of
the two Is electrons in Li+ (cf. Problem 154). From Problem 154 we
further gather that the energy of the (1 S)2 state,
(157.8)
If we put the functions (157.3) and (157.7) into the energy expression,
(157.9)
with the hamiltonian (157.1), the first bracket of (157.1) will contribute
E+, Eq. (157.6), and the second bracket -t, according to (157.8), so that
we may combine
To correct the energy of the lithium ground state, found in the preceding
problem, by taking account of the correct symmetry of the eigenfunction.
Solution. The eigenfunction must again describe a state with two
electrons in the 1 s state u(r) and one electron in the 2 s state v(r), as
defined in the preceding problem. Symmetrization requires the inclusion
of spins. A totally antisymmetrical eigenfunction is then obtained by the
Slater determinant (see Problem 152)
u(l) (X(I); u(2) (X(2); u(3) (X(3)
1
'" = - u(1) P(I); u(2) P(2); u(3) P(3) (158.1)
V6 v(l) (X(I); v (2) (X(2); v(3) (X(3)
72 Many-Body Problems. Few Particles
(I/IIH-EII/I)=O,
where the scalar Hilbert product includes spin summation, we then are
led on, by performing the sum over spins, to
E---
E-S (158.7)
- I-S2'
(158.8)
H= (- ~2 vi - ~)
r1
+ (- ~ v~ - ~) + (- ~ v~ - ~)
2 r2 2 r3
3-oc 3-oc 2 1 1 1
------+-+-+- (158.9)
then its application to u(1)u(2)v(3) leads in the first line of(158.9) simply
to multiplication by -toc 2 , -ta
2 , -t, respectively, so that we get
Problem 158. Exchange correction to lithium ground state 73
2 1 2 I u(l)v(l) 2 I U(2)2
cf= -(oc +8)S -(3-oc)S dTl -(3-oc)S dT2--
rl r2
u(3)v(3)
-2S I dT3 +s IId T l du(1)v(I)u(2)2
T2-----
r3 r 12
V= I uv
dT-;:; (158.10)
E E [J+(3-OC)U]S2+[(5-oc)V-2Y]S-X (158.14)
= + I-S2
f dT' u(r')v(r') = 4n {~fr dr' r,2 u(r')v(r') + fro dr' r' u(r')v(r')} .
Ir-r'l r
o r
74 Many-Body Problems. Few Particles
All other computations are elementary and yield the following results:
S=0.203;
J= -0.030;
U=2.6875 [J+(3-a)U]S2 =+0.0334;
V=0.419 [(5-a) V-2 Y] S= +0.0735;
X=0.0558;
Y=0.303.
with - e the electron charge and the subscript A. numbering the atomic
electrons. The equation
(H+ W)",=E", (159.2)
is then approximately solved by
pz = - e {(O\~Z;.IO)
For alkali atoms consisting of a core plus one single outer electron,
the excitation of a core electron requires much energy, thus leading to
a large denominator in (159.8). For a rough orientation it therefore
suffices to study excitations of the outer electron only, moving in the
field of an unaffected core. Its eigenfunctions may be written
10)=u(r); In)=vn(r) Yt.m(.9,q
because the ground state 10) is an s state not depending on polar angles.
With
z=r cos.9=r
lf4n
V3 Y 1 0
Wf
00
which must be = -to((S'2. The result for (J. is the same as above.
(160.1)
e 2 ( 112 )2 (160.3)
XO=--2 N -2 =0.790x1O- 6 cm 3/mole.
6mc me
We thus obtain for the susceptibility of neon:
23 242 6.30}
{
XNe= -Xo (10-0"1,0)2 + (10-0"2,0)2 + (10-0"2,1)2
= - 5.61 X 10- 6 cm3 /mole. (160.4)
This result may be compared with the experimental value of
XNe= -6.7 X 10- 6 cm 3/mole.
the deduction of which is cumbersome and not very interesting. For details see
Bethe, H. A., Salpeter, E. E., Encyclopedia of Physics, vol. 35 (1957), p. 103.
78 Many-Body Problems. Few Particles
Fig. 63. Notations. The distances marked by broken lines enter the interaction
(161.3)
coincide with the nuclear axis (Fig. 63). With the nuclei at rest, i. e. in
Born-Oppenheimer approximation, we then have the hamiltonian
H=HO+H' (161.1)
with
h2 e2 e2
HO = --(Vi+v~) - - - - (161.2)
2m r1 '2
(161.3)
Problem 161. Van der Waals attraction 79
(161.5)
4 They vanish not only for S states but always, if both atoms are in the same
state, see the following problem. Even for two excited states, IUo l2 depends upon
polar angles as the square of a spherical harmonic. This can be decomposed into
a sum of spherical harmonics of even orders only. In the integrand it is multiplied
by a coordinate x, y, or z, i. e. with a spherical harmonic of first, hence of odd order.
Orthogonality properties of spherical harmonics thus cause the product integral
to vanish.
80 Many-Body Problems. Few Particles
the sum being extended over all excited states, and 0 referring to the
ground state. As En> Eo, all denominators of the sum are negative
so that E" < 0 and there arises an attraction. The matrix elements
depend upon R only through the constant factor R - 3 in Eq. (161.5) which
stands in front of each integral. E" therefore must be of the form
" C
E=--
R6
the first pair of quantum numbers referring to the first, the second pair
to the second atom.
The perturbation energy (161.5) may be used. Introducing the symbols
e= x + i y, et = x - iY (162.2)
it may be reshaped into
(162.3)
if for each of the two electrons an S and a P state are combined s. These
are the matrix elements
Denoting the radial parts of the atomic wave functions by f,(r) and
using the abbreviation
<Xl
(162.7)
Thus, only with m1 =m2 the matrix element (162.7) does not vanish.
We are now prepared to write down the secular determinant of the
six degenerate zero-order wave functions (162.1). If E' is the first-order
perturbation and the six functions are used in the order
S Coupling of any states with even I and odd I' = I 1 would do, e. g. P - D
coupling. This however exceeds the limitations set by Eq. (162.1).
82 Many-Body Problems. Few Particles
-E' je 0 0 0 0
je -E' 0 0 0 0
0 0 -E' -1 e 0 0
(162.8)
=0
0 0 -1 e -E' 0 0
0 0 0 0 -E' je
0 0 0 0 je -E'
with
e2r~
e = 2R 3 ' (162.9)
Wave function
State A E'
(unnormalized)
il = Vi> re-,/2
12
in atomic units, the integral ro, Eq. (162.5), can be evaluated:
r o-v
_1~6128
u 243' (162.10)
Problem 163. Neutral hydrogen molecule 83
with ao the Bohr radius. In all states, therefore, the interaction energy E'
becomes proportional to R - 3, decreasing more slowly than, and thus
dominating, the Van der Waals energy (ex: R - 6) at large distances. The
sign of the interaction still depends upon the state of the system: in the
states Eu and ng there is repulsion between the two atoms and attraction
only in the states Eg and nu'
Literature. Herzberg, G.: Spect,a of diatomic molecules, p. 378. - Landau-
Lifschitz: Quantum Mechanics, p. 302. - Margenau, H.: Rev. Modem Phys. 11,
1 (1939). - King, G. W., Van Vleck, J. H.: Phys. Rev. 55,1165 (1939).
I
H= -z(V 2 2
I +V 2 ) + -
1 - (1
- + - 1 + - 1 + - 1) + -1 (163.1)
'12 'al 'bl Ta2 'b2 R
with R the distance between the nuclei. At large distances R, the wave
function should pass over into the product of the separate atoms, either
becoming of the form f(r at) f(rb2) if electron 1 forms an atom with
nucleus a, and 2 with b, or of the form f(rbl) f(r a2) if the two electrons
are exchanged. A reasonable approach at finite distances R will be a
linear combination of two such products, and symmetry considerations
lead to the choice of the symmetrical solution
(163.2)
for the ground state (with antiparallel electron spins, according to the
Pauli principle). The antisymmetric combination, which is an eigen-
function as well, would lead to a larger energy with no attraction and no
formation of a molecule at all.
84 Many-Body Problems. Few Particles
F(r al ) = (- -1 1)
2
V2l - -
'al
!(ral ) (163.5)
(163.15)
For Y= 1 this would be the wave function of the atomic ground state;
with y a variational Ritz parameter we may still get a better approx-
imation. Specializing to (163.15) we find, according to (163.5),
It can further be shown that the overlap integral S depends only upon
the combination
p=yR (163.17)
which we may use as a second Ritz parameter besides y, and that the
four remaining interaction integrals ~, ~', 8, 8' all become propor-
tional to }' so that we may write
E= -ay+by2 (163.19)
with
2(1 +~)+4S8 -(~' +8') 1
a(p) = I+S2 (163.20)
p
and
(163.21)
86 Many-Body Problems. Few Particles
z
is the exponential integral.
Problem 163. Neutral hydrogen molecule 87
It is easily seen that, for large r, this integral tends to zero as e - 2p and
that, at p=O, it has a limit 8'(0)=i in agreement with the theory of
the helium ground state emerging for nuclear distance zero (cf. Problem
154).
Numerical computation yields the following table. The binding
energy of the molecule has a maximum at about R = 1.46 a. u. corre-
sponding to an equilibrium distance of Ro=O.77A. (instead of the
experimental value 0.742 A). The energy then is E = -1.139 which is
to be compared with the binding energy of two separate hydrogen
atoms in the ground state, 2 Eo = - 1. If the zero-point energy of the
molecular vibrations is denoted by thw, we therefore have a disso-
ciation energy of
D=2Eo -(E+thw)=0.139-ihw.
P "I -E R
D=0.138 a.u.=3.75 eV
whereas its experimental value is D=4.45 eV. The agreement is not
so bad, as we have explained in the similar situation obtaining in the
case of Hi.
NB. It should be mentioned that, for large distances R or p, the parameter "I
tends towards 1 and the function f to the atomic ground state wave function.
In the original Heider-London method, this value was used throughout, so that
there was no Ritz parameter "I. In that rougher picture the dissociation energy
becomes only 2.90 eV and the equilibrium distance 0.88 'A. The increasing values
88 Many-Body Problems. Few Particles
Literature. Heitler, W., London, F.: Z. Physik 44, 455 (1927). - Evaluation
of the integral $': Sugiura, Y., Z. Physik 45, 484 (1927). -Variation of y: Wang,
S. C., Phys. Rev. 31, 579 (1928); Rosen, N.: Phys. Rev. 38, 2099 (1931). - Better
variational approximations: James, H. M., Coolidge, A. S., J. chern. Phys. 1,825
(1933); 3,129 (1935).
X
* - iK*.Og sin
e _ __
2 !!
1(9)= - - e2''~o _ 2
'10=r(1 +ix*); (164.1)
2k* . 2 9
sm -
2
here the abbrevations K* and k* refer to centre-of-mass values,
e2 m*v
x*=-' k* - - - ' (164.2)
hv' - h '
and m* is the reduced mass. For two equal particles, m* =!m. The
relative velocity of the two particles, v, is independent of the frame of
reference. Therefore, if K, k and E refer to the laboratory frame, we get
so that
x . e-iKlogSin2~
1(9)= - _e2'~o _ _ __ '10=r(1 +ix). (164.4)
k . 9
sm 2 -
2
Further, the angle of deflection in the laboratory frame, e, for equal
masses becomes
(164.5)
Problem 164. Scattering of equal particles 89
with 8 the angle in the centre-of-mass system. The solid angle element
therefore transforms according to
(164.7)
dU.lass
--=4cosB - (X)2 {1
- - + -1}
-. (164.8)
dO k sin 4 B cos4 B
describing one particle of velocity +tv and the other of velocity -tv
in z direction. If centre-of-mass motion is superimposed by a factor
For the asymptotic spherical wave part this means replacing f(8) by
f(8) +f(n-8)
leaving r unchanged, so that, with (164.4~ instead of f(8) we get
f(8)+ef(n-8)= - _ e 2 " ,O
e2 . {e-iICI09SiD2~ + ee-iICI09SiD2!}
---- (164.9)
mv2 8 8
sm 2 - cos 2 -
2 2
and, instead of the classical cross section formula (164.8),
(164.11)
with an interference terfIl added to the classical expression. For com-
paring both, quantum theoretical and classical cross sections, the ratio
du 2tan2 Bcos(-logtan2 B)
- - = 1+ e - - - - - - :4- - - - - - (164.12)
dUelaos 1 + tan 8
may be useful.
As a last step we now have to decide which part of an unpolarized
beam will be symmetrical, and which antisymmetrical. If the scattering
t
particles are fermions of spin (two protons or two electrons) whose
total wave function must be antisymmetrical, we have weights i for the
spin-symmetrical, space-antisymmetrical triplet and ! for the opposite
symmetry of the singlet state so that we get
du=idu _ +!du +
with the subscript signs referring to the two signs of e in (164.l1). There-
fore, unpolarized beam experiments in this case yield
eeff= -i+!=-t
and
du tan 2 Bcos(-logtan2 8)
--=1- (164.13)
duelass 1 +tan 4 8
Problem 164. Scattering of equal particles 91
1.0
1'\ /
, \ /
\
du
dUe/ass !\ /
0.5
\ J
Fig. 64. Scattering of two equal fermions. The figure shows the ratio of quantum
theoretical to classical scattering intensity as a function of scattering angle. The
curve has an infmite number of oscillations in the vicinities of 0 and 90, with
decreasing amplitudes
Finally, for very large x, these oscillations will be so rapid that they
can no longer be resolved experimentally so that the classical expression
remains.
If the particles are bosons without spin (e.g. two DC particles or two
pions), only the space symmetrical state with 8= + 1 occurs. Of course,
for DC particles e2 has to be replaced by 4e 2 If the particles are bosons
of spin 1 (e.g. two deuterons), the total spins possible are 2 (weight i),
1 (weight ~~ and 0 (weight !) with space symmetry for total spins 2 and O.
Then we get
and
(164.14)
92 Many-Body Problems. Few Particles
(165.2)
where the first term describes the Rutherford scattering of the Coulomb
field and the second,
1 2.' 1 .
f .. = --(e
2ik*
'''_1) = -e'''osinb
k* 0,
(165.3)
In the fIrst square of (165.6), the anomaly not depending upon 8 cancels out.
It is remarkable that even for higher energies, where higher angular momenta
contribute to fa so that
fa = 2 ~k.
I
f (21+ l)e2i(~I-~o)(e2ill-l)P,(cos8),
1=0
in consequence of
P,(cos(n-8 = (-If P, (cos 8),
all contributions with even I would cancel out in the triplet, and all with odd I
in the singlet term. Thus, contributions would arise only from the terms
IS, 3p, ID, 3F, IG, ...
This is in complete agreement with the Pauli principle applied separately to each
of these partial waves (forbidding 3 S, 1 P, ...).
Ifal 2 = k4. 2
2 sm c;o
Fig. 65. Anomalous proton-proton scattering at 1 MeV. The ratio of actual to pure
Coulomb scattering at e = 45 is shown as a function of the phase angle 15 0 ,
Positive (negative) values of 15 0 correspond to short-range attraction (repulsion)
describing the interaction of the proton with the atomic core and the
electron to be excited. This last term of the hamiltonian shall be re-
garded as a perturbation. Such a formulation of the problem is rea-
sonable as long as the energy of the proton is not big enough to excite
anyone of the core electrons, so that we may simply deal with only
the outermost electron and a rigid core.
Let the eigenfunctions of the operator H 2 be u. (where the sub-
script v comprises the three quantum numbers n, I, m, and v=O denotes
the ground state) with eigenvalues W.,
(166.5)
96 Many-Body Problems. Few Particles
and let tlk be the momentum of an undeflected beam proton. Then the
zero-order solution of the SchrOdinger equation, neglecting H 12 , is
(166.6)
The first-order solution may be written as an expansion with respect
to the complete orthogonal set {u.}, viz.
where J.I. = 0 is excluded from, and the integral over the continuum
functions included in, the sum.
Putting (166.7) in the Schrodinger equation we arrive at
I' {Vf F,,+ [k 2-2M(J,.- Wo)]F;.-2MH12 F,,} u,.('2)=2MH12 UO('2) eik-rl
"
In the first order of perturbation we neglect H12 on the left-hand side.
With the notation
(166.8)
we then have
I' {VfF,.('l)+k~F"('l)}u,.('2) = 2MH12 UO('2) (166.9) eik-rl
"
Multiplying (166.9) by u!'('2) and integrating over '2 we obtain a set
of independent differential equations for the F;s:
(166.10)
with
J
tP.('l) = 2M ei"r l tP'2 u: ('2) H12 UO('2) (166.11)
Eq. (166.10) is an inhomogeneous equation and can be solved by using
a Green's function,
(166.12)
(166.13)
Problem 166. Inelastic scattering 97
(166.14)
(166.15)
still depending upon the direction in which the proton is fmally de-
flected. It follows that the differential inelastic cross section for the
proton, under excitation of the outermost alkali electron to the state v,
then is
(166.16)
because the velocity of the outgoing protons, and thence their current,
are lowered by the factor kJk. This is an immediate consequence of
interpreting (166.8) as energy conservation law.
Let us now go into some more details with respect to the angular
distribution of the inelastically scattered protons. In the exponent of
(166.15) we introduce a vector ky in the direction of r 1 so that
1 ao
eiKy r = - , L V4n(21+ 1)/j,(K.r') Yi,oO},)
K.r '=0
and
with
R" = ~(~)"
r2 r2
(r )"
(166.18)
1 ~
R,,=-
r' r'
with 8', cp' defining the direction of r' and 8 2 , CP2 that of r 2 with respect
to K. Then, in the inner integral of (166.17), the angular integrations
may be performed and we get
fa-r'e'
11 '"
y'r - ,1
- - = L..
Ir -r 12 '=0
~ fao
4n, ~n
dr'r' 2 - --i'j,(K.r')R, Yi,o(8 2 )
K.r 21+ 1
o
Using the abbreviation
g,
(r ) =
2
V 21+ 1
ao
These integrals are well known from the theory of Bessel functions:
x
Jdy y' + 1j,(y) = x' + 1 j, + 1 (x);
o
00
(166.23)
(167.3)
Problem 167. Electron gas in a metal 101
or
mL3
dN = V2"i 2 3 yEdE (167.4)
n h
electrons with energies between E and E + dE.
a) The highest electron energy in the ground state of this electron
gas, C, follows from the total number of electrons, N, in the cube to be a
given constant:
,
mL3
N=V2"i23 yEdE.
n h
f (167.5)
o
Let us denote the electron density by
(167.6)
%=_1
3n 2
emcy
h2
(167.7a)
or
h2
C = -(3n2 %)1-. (167.7b)
2m
As % = p/M with M the mass of a silver atom (M = 1.80 x 10- 22 gm)
we have
% =5.85 x 1022 cm- 3
so that Eq. (167.7b) leads to an upper energy limit of
C=8.80x 1O- 12 erg=5.55eV.
This is an energy so large compared to thermal energies (k T=0.026eV
at 300 0 K) that thermal excitation may indeed only slightly change the
distribution of electrons over the energy states. The reason for this
effect, called degeneracy of the electron gas (Fermi gas), is, of course,
the very small mass of the electron in the denominator of (167.7 b).
The energy limit C is, in general, called the Fermi energy of the elec-
tron gas.
102 Many-Body Problems. Very Many Particles: Quantum Statistics
,
o
/'
E= JdEVE JdEV=~'.
0
(167.9)
dW=pdV.
This work is used to increase the total energy content U of the gas
by dU,
dW=dU.
This total energy (at T= 0) is
U=NE=~N'. (167.10)
According to (167.7b), the Fermi energy' depends on % = N/V and
therefore on V:
dU 2 dV
Uoc v-t; -=---
U 3 V
Thus we fmd for the pressure,
dU 2 U 2
P= - - = - - = -
dV 3 V 5
%,. (167.11)
h2
( = 2m (31t 2 K)t , (168.1)
E E
Fig. 66. Spin-flip near Fermi energy under action of a magnetic field
shows that the amount of energy expended in separating the first pair
(by transferring an electron from the uppermost occupied to the lowest
unoccupied level) is AEo, for the second pair it is 3AEo, for the third
pair 5AEo, etc. In general, the separation of v pairs requires an ex-
penditure of
[1 +3+5+ ... +(2v-1)]AEo = v2 AEo . (168.5)
Equilibrium will be reached if the total energy change W of the gas
affected by the magnetic field,
(168.6)
is a minimum:
dW
- = -2JlJt"+ 2vAEo=0,
dv
i.e. for
JlJt"
v=- (168.7)
AEo
with
(JlJt")2
w.;=---.
AEo
MIn
(168.8)
If more pairs were separated, the total energy of the gas would increase
again. In equilibrium, the total magnetic moment of the metal becomes
2Jl2Jt"
.A=2vJl = - -
AEo
and, by definition, its paramagnetic susceptibility per unit volume,
.A 2Jl2
(168.9)
X = Jt" V = V AEo'
- 4nmc
2
X -e -2 - -
n
(3%)t .
(168.10)
in the dimensionless scale used in the present problem. From (168.11), on the
other hand, we obtain the electron contribution
Xpara = +0.66 X 10- 6
The expressions are of the same order of magnitude so that in some metals (e.g.
in caesium) even a resultant diamagnetism is observed.
Literature. Frenkel, J.: Z. Physik 49,31 (1928).
V=1fo
ro;::----"-----z
=V=o
Fig. 67. Field emission of electrons from a metal surface. Left-hand side: densely
lying electron levels inside the metal up to the Fermi energy ,. Right-hand side:
Potential outside the metal under action of an electrical field
106 Many-Body Problems. Very Many Particles: Quantum Statistics
(169.2)
T= exp { - 3"4 ~
hetl (Vo-Ez)'
:i} (169.4)
!:
V2iii{ V 2m' - P~
the integration being extended over all electrons with vz>O. If we use
the auxiliary variable
(169.7)
Problem 169. Field emission, uncorrected for image force 107
4n:em
j = ~
f~
deeT(e) (169.8)
o
with
V2m
T=exp { - -4 --(Vo-(+e)' . 3} (169.9)
3 helff
To evaluate the integral (169.8) we use the fact that, starting from
e = 0 (maximum energy Ez = (), the transmission coefficient T(e) de-
creases rapidly with increasing e. Therefore, mainly the electrons with
small values of e contribute to the integral (169.8) and we may expand
(169.10)
we then obtain
and
Again, the integrand falls off rapidly with increasing e so that we may
extend the integration to infinity, without noticeable error, and finally
arrive at
(169.11)
with the notations of the preceding problem (Fig. 68). Weare interested
in that part of it that extends between Z1 and Z2' the two solutions of
the quadratic equation V(z) = Ez . This yields
Vo-Ez (VO-Ez)2 e
z1,2 ----+
- 2e$ - 4e2 $2 4$
(170.3)
~-------z
-v=o
a condition which is satisfied even for field strengths of about 109 volts/em;
for higher values the threshold would be submerged under the Fermi
level of the electron sea. For the field strengths used in experiments,
which are even below 107 volts/em, we may safely assume
VO-E)2
e$~ ( --e-z (170.4)
(170.5)
with
Vo-Ez
Zo =--- (170.6)
e$
Vo
and Zl ~Z2' The summit of the barrier, according Eg. (170.2), is now,
due to the image force, shifted from z=O to Z= e/4$ and instead of
Vo its height is only
110 Many-Body Problems. Very Many Particles: Quantum Statistics
According to (170.4) this does not involve much lowering of the thresh-
old but rather a flattening of the summit, so that we may expect a much
larger transmission coefficient. Only the neighbourhood of Ez
contribute appreciably to the emission current (as in the preceding
=,
will
we have
f
Z2
- h 10gT= dZ (170.7)
2V2meS ZI
Next put
(170.8)
and
(1- k 2 ) sin 2 tp
x = ---=-----=--
l-k2 sin 2 tp
then the right-hand side of (170.7) becomes
(170.9)
Problem 170. Field emission, corrected for image force 111
The last integral may be reduced to the two complete elliptic integrals
E(k) and K(k):
"2"
f d({1(1-k2sin2({1}t
sin cos 2 ({1 2 ({1
= 3k4
1 [2 - k 2 ]
1-k2 E(k)-2K(k) . (170.10)
o
Eq. (170.10) may be proved as follows. Putting 1-k2 sin2({1=,12, the
two complete integrals in standard form are defined by
"2"
K(k)= f-:1;
o
d({1
d { . ( 1 2-k2 )}
+ d({1 sm ({1 cos ({1 ,13 - (1- k2),1 .
3k
2 f
"
1"
d({1
sin 2 ({1 cos 2 ({1 _ 2-P
,1s
2
- k2(1-k2) E(k) - k 2 K(k),
o
in agreement with (170.10).
Eqs. (170.7) and (170.10) may then be unified into
with A=log(4/k'). If these expansions are put into (170.11), the right-
hand side becomes
~zt[l+k'2(~
3 2 42
- ~log~)J = ~zt[1 - ~k'2(.!. + 10g~)J.
k' 3 22 0 k'
Were k' = 0, we would fall back on the expression (170.9) for T without
image force. Let us denote this by To; then the result is
(170.13)
with
3 (1 + 4)
A. = - k' 2 -
2 2
log - .
k'
(170.14)
It remains to evaluate the current integral (169.8) with the new ex-
pression for T. Again, as in the preceding problem, it is essentially the
vicinity of E" = C that contributes to the current, so that we may expand
A. at E" = C or e = 0 and confme ourselves to the linear term in e. This
is practically the same as putting
e3 8
k'2_(Z ) - 4(V0-c)2
- 1/z OE.=C- (17015)
.
[1-jA.+k'2]2
in the same units of volts/em for 8 and eV's for Vo-C. With a rea-
sonable value of the work function, Vo - C= 3 eV, and a field strength
8 = 10' volts/em, we then arrive at
q=54.5, k'2 =0.0397, A=0.208, etAq = 1860,
jo = 0.9 x 1O- s amp/cm 2 ,
j= 1.7 x 10- 5 amp/cm 2
Problem 171. White dwarf 113
Let the temperature of a white dwarf be high enough to ionize its atoms
practically completely, and low enough to neglect gas pressure and
radiation pressure compared to zero-point pressure of the degenerate
electron gas. (The latter assumption is rather bad.) The distribution of
density through the star shall be calculated for a given total mass of
the star, from the equilibrium of zero-point pressure and gravitational
pressure.
Solution. In a spherical mass of gas the radial pressure gradient
must be in equilibrium with the gravitational force density (barometric
formula):
dp GMr
--2- P (171.1)
dr r
Here G is the gravitational constant, Mr the mass inside a sphere of
radius r,
Mr = 4n Jdr' r,2 p(r'), (171.2)
o
and p(r) is the mass density, i.e. the mass of all ions and free electrons
inside lcm3 of star matter. For complete ionization with % electrons
per c. c., there are % /Z ions (nuclei) so that
%
p = -ZmHA,
with mH A the mass of one neutral atom. If there are different elements,
A and Z represent average values. It should be noted, however, that the
ratio
A
- = 21X (171.3)
Z
is almost independent of the chemical composition, IX varying from 1.0
to 1.3 from light to heavy elements with the one exception of hydrogen
where IX=!. Therefore,
(171.4)
depends essentially only upon the density of electrons.
The pressure of the electron gas is, according to Problem 167, its
zero-point pressure,
(171.5)
114 Many-Body Problems. Very Many Particles: Quantum Statistics
pdl!e=(%;/.K)tm/mi=Z-t ~.
mHA
Even in hydrogen (Z= 1, A= 1), we would have pdPe= 1/1838, the
ratio being much smaller for all other elements. We shall, therefore,
neglect Pi and identifYPe, Eq. (171.5), with the total pressure, p.
It is not quite so easy to dispense with temperature effects. Only if '~kT
can we assume the gas to be extremely degenerate so that its pressure is mainly
zero-point pressure. For, the electrons, the Fermi energy is
,= 2m~(31t2p)t =l.64ev(!!..)t.
2amB a
This is to be compared with kT~ l00eV at l(f degrees. Even with p= 103, both
quantities would be of the same order of magnitude. The ion gas would not at all
be degenerate, then, and contribute in the same order, too.-The radiation pres-
sure is
PR = 2.52 X 10- 15 T'dyn/cm2,
whereas from (171.5) anki (171.4) there follows
Pe= 3.16 x 1012(P/aJf dyn/cm2.
With T = degrees, therefore, the radiation pressure is of the order of 109 dyn/cm2
106
which may, indeed, be neglected under the density conditions of a white dwarf.
P= f pt ; f = ~
10m
(3 7t2)t (cxmH)-t
2
= 3.17 x 1012cx-tgm-tcm4sec-2. (171.6)
Any connection between pressure and density of the form
1+1.
p=fp n
~fptdp __ Gp M
3 dr - r2 r
or, by differentiation,
Sf !!...(r2p-tdP)=_47tr2p. (171.7)
3G dr dr
Problem 171. White dwarf 11S
tJ2qJ 2 dqJ
-+
2 - - + qJi=O, (171.11)
dx x dx
independent of all physical constants. If we choose Po to be the density
at the centre of the star, we have to solve Eq. (171.11) with the boundary
conditions
qJ(O) = 1; qJ'(O)=O. (171.12)
x=X=3.6537 (171.13a)
where its derivative is
This leads to
(171.16)
and for the radius R of the star to
R='1 X =3.6S37'1 (171.17)
Finally, the average density is
3D
P = -Po=0.169po, (171.18)
X
i.e. about t of the central density.
Numerical example. The companion of Sirius (ex Can maj), Sirius B,
has a mass determined from the motions of Sirius about the centre-of-
mass of this binary system. It is about the same as the mass of the sun,
viz. M = 1.94 X 1033 gm. This leads to the following numerical values:
'1= 2.47 X 108 a- t cm;
R = 8.98 x 108 ex- t cm;
Po = 3.73 X 106 ex S gm cm - 3;
p= 6.1S X 105 ex S gm cm- 3
Since observations lead to a radius about io of that of the sun,
Ro=6.9S x 1010 cm, our model leads to ex=O.44S. This is not very far
from ex=O.S for a hydrogen star, but on the wrong side. Our radius,
however, is certainly too small. The neglect of a rather important part
of the pressure accounts for that: the star will be inflated to a larger
radius if temperature effects are accounted for.
Solution. There are two basic ideas underlying the model, one
electrostatic and the other quantum statistical. Let us start with the
electrostatic side of the problem. If n(r) electrons are contained in a
unit volume at a distance r from the atomic nucleus, the electrostatic
potential originated by both nucleus and electrons satisfies the Poisson
equation, the first fundamental equation of our problem:
with p(r)= -en(r) the charge density of the electron cloud. The solu-
tion of this equation is subject to the boundary conditions
Ze
f/.J = - for r-+O (172.2)
r
in the vicinity of the nuclear charge Z e, and
ze
f/.J = -r for r::?=R
-
(172.3)
if R is the radius of the positive ion of charge ze. This radius has still
to be determined.
There can be no singularity of charge density at r = R, so that not
only the potential but the field strength as well must be continuous
there. This, instead of (172.3), permits the boundary condition to be
written in the form
Quantum statistics now couples Pmax with the electron density n(r) by
the relation (cf. Problem 167)
41t 3 3
n=2 . "3 Pmax 1(21th) . (172.6)
From Eqs. (172.1) and (172.71 the two functions n(r) and 4>(r) may,
in principle, both be determined. Elimination of n(r) and use of the
central symmetry of the system lead to
1 rP 4e t
V2 4> == - - 2 (r4 = - 3 {2me[4>(r)-4>(R)]} .
r dr 31th
Using instead of 4>(r) the dimensionless function
r
q>(r) = - [4>(r)-4>(R)], (172.8)
Ze
and instead of r the dimensionless variable
91t2)t h2 h2
x=rla with a= ( - - --2 = 0.88534z- t - 2 (172.9)
128Z me me
rPq> q>!
(172.10)
dx 2 = V;'
the boundary conditions (172.2) and (172.4) passing over into
q>(0) = 1 (172.11)
and with X = Ria,
z
q>(X) = 0; Xq>'(X) = - - . (172.12)
Z
It should be noted that with these boundary conditions all Z - z electrons
are indeed enclosed within the sphere of radius R. This can easily be shown by
fIrst deriving from (172.7) and (172.9),
R x
J J
4n n(r)rdr = Z dxVXrp(x)t,
o 0
Problem 172. Thomas-Fermi approximation 119
and then using the differential equation (172.10) to replace qJt by qJ":
x
= Z JdxxqJ" = Z[xqJ' -qJ]~ = Z{qJ(O) + X qJ'(X)}
o
or with the boundary conditions (172.11) and (172.12),
'----_-"-_.....>0...._ _ _ _ _ X
Fig. 69. Solutions of Thomas-Fermi equation (172.10) with different initial tangents
have no direct physical significance for free atoms or ions but may
well serve for the description of atoms bound in a crystal lattice under
changed boundary conditions.
Our main interest will be concentrated on line (3) of neutral atoms.
We shall call this the standard solution CPo(x}. It is numerically given in
the accompanying table. It belongs to the initial tangent inclination
IPo(O}= -1.58807. Its asymptotic behaviour is given by IPo(x}-+144/x3
(which, by the way, exactly satisfies the differential equation but has a
singularity at x=O); for practical purposes, however, this expression
is rather useless since, even at so large a value as X= 100, is still differs
about 40% from IPo(x}. On the other hand, IPo should show a much steeper
decrease at large x, something certainly of an exponential type. The
error of the Thomas-Fermi approximation, as of any statistical model,
120 Many-Body Problems. Very Many Particles: Quantum Statistics
rapidly increases with small particle numbers, and since the latter
decrease below every limit at large distances the method cannot be
expected to hold there any longer, whatever good results it may give
for the inner parts of the atom.
To obtain other solutions, not too far removed from the standard
one, we write
q>(X) = q>o(X) + k '70 (X) (172.13)
and linearize in the small deviation k '70. From (172.1 0) we then find
tP'7o =
dX2
~(q>o)\o.
2 x
(172.14)
k= _ q>o(X); (172.15a)
'70 (X)
(174.3)
and
ri21 _
,p.,1 -
~ e2 ffd t d t ' n(r)n(r') . (174.4)
2 \r-r'\
The total energy, i.e. the sum of (174.2), (174.3), and (174.4),
E = 2
fdt{",n t - Ze n + ~e2nfdt'~} == fdt'1 (174.5)
r 2 \r-r'\
must be minimized by a suitable choice of n(r) with the constraint
Jdtn(r)=Z, (174.6)
the latter integral being the total number of electrons. This is a varia-
tional problem to be solved by
(174.7)
124 Many-Body Problems. Very Many Particles: Quantum Statistics
f
with a multiplicator A.. Putting Eq. (174.5) into (174.7) we find
f { 5 Ze2
dT:bn(r) -xnt - -
3 r
+ e2 n(r')
dT:'--
Ir-r'l
+ A.} = O. (174.8)
Here, in the last term, use has been made of the fact that variation of
n(r) as well as of n(r') in the double integral twice leads to the same
result. The extremal value of E will be obtained if the curly bracket in
(174.8) vanishes.
Since for an atom n only depends upon r, not upon direction, the
third term in the curly bracket can by expansion into spherical harmonics
be written
f fr
o r
5
-xnt
3
- - Ze 2
r
41te 2
+ --
r
f f
00
10 I dn Ze 2 41te 2 2
- K n - ' - + - - - - dr'r' n(r')=O,
9 dr r2 r2
f
o
the contributions from differentiating the integrals with respect to their
limits cancelling each other out. Multiplying by r2 and again differen-
tiating removes the integral and leaves us with the differential equation
(174.10)
we then find
(174.12)
an equation which, with
2 1 tP
V tP = - -(rtP)
r dr 2
We thus obtain
201t
f
E kin = - 3 drtPV 2 tP; (174.14a)
(174.14c)
r
q>(r) =- tP(r). (174.15)
Ze
We then have,
E(1!= - -ZefdT: Ze
- _qJ"=Z2 e 2qJ'(0). (174.16b)
po 471 r r
(174.16 c)
R1) _ _ _
Z 2 e_2 II.
pol - ,.., (174.18)
a
Problem 175. Virial theorem for the Thomas-Fermi atom 127
with
(174.19)
Here, the integral J and the derivative J.I. are independent of Z since
they depend only upon properties of the universal function cp(x). Their
numerical values can be determined from cp(x), Problem 172:
J.I.= -cp'(O)= 1,588 J =0,454. (174.20)
The total energy of the atom, i.e. the sum of the three expressions (174.18),
E= - -a-
Z2 e 2 (2SJ.l. + 1) =
10 J a-,
-0,680-
Z2 e 2
(174.21)
thus yielding
If the three energy expressions (174.18) are put into this relation,
we arrive at
(175.2)
which is corroborated by the numerical values (174.20). The energy
expressions (174.18) then may all be written in terms of J only, with
the result
Rpot-
2 )-+*U
~ (175.3)
and
Z2 e2
U=--J. (175.4)
a
The total energy thus becomes the sum
E=-!U (175.5)
which again leads to the numerical results given at the end of the
preceding problem. A comparison of (175.5) with the kinetic energy
(175.3) corroborates the virial theorem.
The function
1
q,(x) = (1 +ax)2 (176.1)
(176.5)
We now replace IPo by the approximate function cp, Eq. (176.1), but
still keep this normalization. Introduction of the integration variable
(X
y = (Xx = - r then leads to
(a)t f
a
<Xl
8}/2 dyVY
~VZ; (1+y)3 = 1.
(176.7)
o
The integral can be solved by the substitution of u = y2; one easily
verifies
in the limits O::s;y< <Xl therefore, the integral becomes n/8 and Eq.
(176.7) yields
2Z)t
(X = ( ""9 a=0.60570zta, (176.8)
or with Eq. (176.6),
(X = 0.53625 . (176.9)
In the accompanying table, the functions IPo and cp have been compared,
using this value of (x.
0 1 1 0
0.1 0.9008 0.8817 +0.0191
0.2 0.8156 0.7931 +0.0225
0.5 0.6219 0.6070 +0.0149
1.0 0.4237 0.4240 -0.0003
2.0 0.2328 0.2430 -0.0102
5.0 0.0738 0.0788 -0.0050
10.0 0.0247 0.0243 +0.0004
130 Many-Body Problems. Very Many Particles: Quantum Statistics
Literature. Tietz, T.: J. Chem. Physics 25, 787 (1956); Z. Naturforsch. 238,191
(1968).-ln Tietz's original papers a factor 0.64309 has been used instead of our
normalizing factor 0.60570 in Eq. (176.8). Tietz's approximation therefore does
not satisfy normalization. His deviations ip - ({Jo, however, are somewhat smaller
in the most significant region O<x<O.5, but are much bigger for x> 1.
as trial functions with the Ritz parameter (X for the approximate solution
of a variational problem equivalent to the Thomas-Fermi differential
equation.
Solution. The differential equation
cp" =x-t cpt (177.2)
may be replaced by the variational problem, to make the integral
co
J
J= dxHcp'2+~x-t cpt) (177.3)
o
an extremum with fixed boundary conditions cp(O) = 1 and cp(oo)=O.
Putting the trial function (177.1) satisfying the boundary conditions in
the integral (177.3) we have
co
J -
-
fdX{ (1 +2(X2(XX)6 + ~x-t
5
1 }
(1 + (XX)5 .
o
For the evaluation of the integral we set (X x = t 2 in the second term;
then we may use the formula
f dt
(1 + t 2 )5
=8
1{t 7 t 35 t 35 t 35
(l+t2t+6(1+t2)3+24(I+t2)2+161+t2+16tan- t
1}
which can easily be verified. We find
J =~((X+&(X-t). (177.4)
The extremum condition dJ /d(X = 0 leads to
35 )2
(X= (256 3" =0.570. (177.5)
Problem 178. Screening of K electrons 131
(177.6)
1 11: 32
a- Z . - = -
8 35'
i.e. the approximate field minimizing the integral J corresponds to nZ
electrons instead of to Z in the atom.
1 Z-1 Z-1
V(r)= - - + -qJ(x)= Vo(r) + - [1-qJ(x)]. (178.4)
r r r
fZ-1
AE.= d7:u~-r-(I-qJ)uo
t=P(I+exx) (178.8)
with
P=2Z!!.. = 3.302Z(Z-I)-t (178.9)
ex
thus obtaining
f (
co
tp2 + fP
3)
LlE.=Z(Z-I)ell dte- t t-p - . (178.10)
II
The exponential integral occurring here
(178.11)
Problem 178. Screening of K electrons 133
The integral over the last term in (178.10) may be reduced to this
function,
(178.l3)
Thus we find
(178.l4)
or by expansion, according to (178.l2), for fJ ~ 1, the semiconvergent
series
(178.15)
s
z P (1-"') AE. IEol s AE,
corr.
It is, however, useless to go into such detail. One glance at the ex-
perimental values shows that our s values are rather good up to about
Z = 50 but that, instead of the predicted slow rise of s with increasing Z
beyond this value, the s values do not exceed a maximum of 3.7 and then,
first slowly and above Z = 70 rapidly, begin to fall again. Such a dis-
crepancy at high values of Z clearly must be explained as a relativistic
effect. This is, in essence, if only in a rough way, shown in the last two
columns of the table. According to relativistic quantum mechanics (cf.
Problem 203) the unperturbed K electron energy is lowered by the
amount
AE = _
,
.!.8 Z2 (~)2
137'
.
these shifts have to be added to the A E. screening shifts before calcu-
lating screening constants as given in the last column. Since
AE=AE.+AE,
becomes, for large values of Z, increasingly smaller than the original
A E., the deviations from the unscreened nuclear field, i. e. the corrected
s values, will also become increasingly smaller. This is corroborated by
experiment. In a strict sense, of course, relativistic corrections should
not be applied only to Eo but to A E. as well. The results may there-
fore still be a little rough, but scarcely more so than corresponds to the
general application of the Thomas-Fermi field which neglects all special
shell structure effects.
V. Non-Stationary Problems
Given an atomic system with only two stationary states II) and 12)
and energies I1wl <l1w2. At the time t=O, the system being in its
ground state, a perturbation W not depending upon time is switched
on. The probability shall be calculated of finding the system in either
state at the time t.
Solution. Let H be the hamiltonian of the unperturbed system with
(179.1)
defming its two stationary states. Then, the Schrodinger equation with
perturbation,
11
- -:-I/I=(H+ W)I/I, (179.2)
I
(179.3)
(179.4)
(179.5)
(179.7)
This can immediately be seen when (179.8) is put into (179.7) leading
to the linear equations
(Wl1 -hw)A+ W 21 B=O,
W 12 A+(W22 -hw+hwo)B=O.
The determinant of these two equations vanishes for the two frequencies
W11 1
WI,II = -h- + "2 I' a (179.9)
with
hI' = W 22 - W l1 +hwo,
(179.10)
ha = Vh2+IWd2.
Further, we obtain
(179.11)
Problem 180. Periodic perturbation of a two-level system 137
Thence,
c1(t) = Ale-iCO(I + Aile -iront;
1 . . .
c2 (t) = - - elroot {(I'IWI- Wl l )A1e- I CO(I +(I'IWII- Wl l ) All e-lco(lt} .
W 21
The initial conditions (179.4) permit evaluation of the constants AI and
All' After a straightforward computation, we then arrive at the result:
(179.12a)
(179.12b)
The probability, then, of finding the system in the excited state will be
\Wul . 2 2
\c2 (t)\ 2 = ~sm
1'1 q
qt
or, using (179.10),
2 4\Wul 2 . 2
\ c2 ( t)\ = 2 2 sm qt. (179.13)
(l'Iy) +4\WuI
The probability of finding it in the original ground state again, on
the other hand, becomes
or
\ ( )\ 2 1 4\Wul 2 . 2
(179.14)
c1 t = - (l'Iy)2+4\Wul2sm qt.
Note that the sum of (179.13) and (179.14) will be 1. The system is
oscillating between the two levels with a time period 1[/q.
and write
W -Wo = Llw; (180.6)
then it is to be supposed that
(180.7)
Eq. (180.5) thus becomes
f
t+t
C,,(/) = ~
2t
dt' c,.(t') with t = 7[/w,
t-t
Problem 1800 Periodic perturbation of a two-level system 139
where the slowly varying factors exp( iLl w t) on the right-hand side
are treated as constants in averaging.
The differential equations (180.8) permit exact solution by differ-
entiation of either, and elimination of the other variable and its first
derivative by using the original equations (180.8). We thus arrive at
(180.9)
with
1 1
0 2 = h2 (II W12) (21 W11) = h21 (21WI1)12. (180.10)
{Rt Rt}
Cl =e 2
iArot
cOST + AsinT ;
(180.12)
_iArot Rt
C 2 =e 2 BsinT.
Ic 12 2 Rt (Llw)2 2 Rt
2 + 0 2+ (LI W)2 sm 2 (180.15)
0
1 =cos
140 Non-Stationary Problems
the system will be found in the ground state again. If the periodic
perturbation is performed, e.g. by a light wave switched on at time
1=0 and switched off again at I = tn' no resultant change will have
affected the system.
Application. Let the hamiltonian H describe the Zeeman effect in a one-electron
S state produced by a magnetic field "*'0 in z direction. Then Ii (Qh -Wt) is the
level splitting between the two spin orientations, i.e. wo=2/1.tfo/1i (with 12) the
upper, II) the lower state). Let now the perturbation consist of a periodic magnetic
field, "*"cosw t, so that
eli
W = -/1(u'"*,') coswt, /1 = - 2mc'
If the field"*,' is parallel to "*'0, the matrix element <IIWI2) vanishes; the states
II) and 12) are then independently perturbed and no transitions are induced.
If, on the other hand, "*" is chosen perpendicular to "*'0, say in x direction, the
diagonal matrix elements of W vanish and we find exactly the case described
above with
<IIWI2) = <2IWll) = -/1.tf'.
Resonance will occur in this device if W~Wo, as before, and the system will
alternate between its two magnetic states. This is the simplest case of paramagnetic
resonance.
Llak(tW= 1. (181.5)
k
Each lakl 2 then is the probability of finding the system in the state t/lk
at the time t.
Introducing the sum (181.4) into the differential equation (181.3)
we find
or, forming the scalar product in Hilbert space with <II and making
use of (181.2),
i ~ .
il, = - - L.,e-(Wk-wrl t <II Wlk)ak (181.6)
h k
(181.8)
a,(t) = - *f o
t
and the excitation energy in the numerator is usually much larger than
the matrix element in the denominator, the exponent in (181.8) or
(181.9) may still be quite large so that there occur periodic oscillations
of a,(t) which do not quite agree with the basic idea underlying our
first-order perturbation approximation. However, in the following
problems we shall show how to eliminate this difficulty.
(182.2)
Problem 182. Periodic perturbation: Resonance 143
The excitation energy, Eex = h(w, - wo) being positive, the first term
has resonance if hw=Eex whereas the second term never shows re-
sonance. Thus, if Bohr's frequency condition
W=W,-Wo (182.3)
holds, the system can absorb energy from the alternating field applied:
2 41</111'10)1 2 sin 2 t(w,-wo-w)t
(182.4)
la,(t)1 = h2 . ( )2
wl-wo-w
-rr o
x--
This formula should still be corrected for the finite frequency width
of the irradiated field. Let p(w)dw be its intensity between wand
w+dw, then we have
as integration variable,
f sin2x
d x -2- =
X
1t.
144 Non-Stationary Problems
Within this range of x values we have 12x/tl <2n/t or, since condition
(181.10) of the preceding problem must hold, i.e. since
h
1</lirIO)1 ~ -,
t
and since this matrix element will usually be very small compared
with the excitation energy, we find that the argument of p may be
replaced simply by w, - Wo. A similar argument obtains for the matrix
element which too may be treated as a constant, independent of x,
so that we arrive at
The probability of finding the system in any state II) thus increases in
proportion to the time. Therefore we may reasonably define a transition
probability
1
P, = -la,(tW (182.7)
t
independent of time which becomes
NB. The last result shows a close similarity to the Golden Rule to be discussed
in Problem 183. It should, however, be borne in mind that the Golden Rule de-
scribes summation over close-lying final states, whereas we have introduced a
summation over a continuum of initial field properties. It has not been shown
here that this summation must necessarily be performed in the probabilities,
Eq. (182.5), and not in the amplitude formula (182.2).
*f
proximation,
t
(183.2)
Now both the initial and final states are lying in the continuous spec-
trum. Using a normalization volume V, the respective wave functions
are
(183.3)
There are, even for finite volume V, a great many fmal states in the
vicinity of (/1 and, in the limit V -+ 00, there will be an infmite number
of them in an infinitesimal surrounding. To ask what is the probability
of one fmal state (/1 with sharp kf thus becomes meaningless; we may
only ask with what probability a certain interval will be reached.
Let pAEf)dEf levels be lying in the interval dEf at the fmal energy
Ef with their momenta within the solid angle element dOf' then the
transition probability per unit time to this angular interval becomes
(183.4)
where the considerations of the preceding problem will again hold for
the integral, so that
(183.5)
146 Non-Stationary Problems
21t V
dl1 = -pt<E)-I(fl Wli>12. (183.7)
II Vo
Here we still have to evaluate the final state density P, and the
matrix element.
The final state density may be derived from the fact that one state
(if the particles have no spin) falls in an element d 3 p of momentum
space of the amount (21t 1I)3/V. Therefore, in an arbitrary element d3p
there will lie
states. With
we have
(183.8)
so that
(183.9)
<fIWli) = -
4n
V
f
00
sinKr
drr 2 W(r)--
Kr
(183.11)
o
so that finally we arrive at the cross section formula
du
-= -
dOJ
2m
1i 2
f
00
( sinKr
drr 2 Wr)--
Kr '
2
(183.12)
o
i.e. the result of the first Born approximation (cf. Problem 105). This of
course, was only to be expected since we treated the scattering potential
as a perturbation already in our starting equation (183.1) and conse-
quently used plane waves to describe the initial and final states.
- -:-
I
1i2 k 2 f(k,t)
Ii.f(k,t) = _
2m
+ ftPk' W(k-k')f(k',t) (184.2)
with f(k,t) the Fourier transform of ",(r,t) and W(k) of V(r) in the
normalization used in Problem 14. Eq. (184.2) may be somewhat simpli-
fied by writing f in the form
f(k,t)= v(k,t)e-;Oll; Ii 2
w=-k. (184.3)
2m
We then find
av(k t) i .
- - ' - = - - C(2n)! W(k-k )e'(CO-coo)t
at h 0
f
+co
sin2 x .
d x -2- = n,
x
-co
(184.8)
becomes
ICI2(2n)4mk
dT= IW(k-koWd.Q. (184.9)
h3
Problem 184. Born scattering in momentum space 149
(184.10)
therefore
(184.11)
W(k-ko) = 1
--3
ftPxe,"rV(r)
41t f
= - ( drr 3 2 sinKr
V(r)-- (184.12)
(21t) 21t) Kr
o
. 8
K=2kosm- (184.13)
2
du 2m 00 2 sinKr }2
- = { -fdrr V(r)-- . (184.14)
dO h2 Kr
o
This permits e.g. to write the cross section formula (184.11) as well in
the form
du = 1~(k'V'ko>
21th
12 dO. (184.15)
150 Non-Stationary Problems
e2
V(t) = - (185.1)
R(t)
with
(185.2)
p
-------+------~--.v
(185.2')
Problem 185. Coulomb excitation of an atom 151
e2
(k!V(t)IO) = t {vt(klxIO)+b(klzIO)}, (185.3)
[(vt)2+b 2]
ak(t)= - *f t
-00
d/ei(Wk-WO)t(kl V(t) 10). (185.5)
The probability of finding the atom in the excited state Ik) after passage
of the colliding electron is then
Pi: = la,,( 00 )1 2 , (185.6)
and the excitation cross section of the state Ik) is obtained by integra-
tion over the collision parameter:
00
Thus the problem is reduced mainly to the calculation of ai;( (0) with
the matrix element (185.3):
f
+00
v
s =-1 (185.8)
b
152 Non-Stationary Problems
f
00
cosf3s
ds t = f3 Kl (f3). (185.10)
(1 +S2)
o
This integral may equally well be written
so that
+00
(185.11)
(185.12)
We therefore obtain
e2 2
ak(oo)= - hv b {<klx 10)( - f3 Ko(f3)) + i <klz 10) f3 Kl (f3)}. (185.13)
According to (185.7) and (185.8) this leads to the excitation cross section
of the state Ik):
fdf3f3[K~(f3)+Ki<f3)]'
00
JdPP[K~(P)+KHP)]=PKo(P)Kl(P), (185.17)
II
For small values of P, the limiting values to the functions are
with C=0.5772 ... the Euler constant. The integral therefore diverges at
small values of Por, according to (185.8~ of the collision parameter b.
This divergence is caused by the expansion (185.2') of the interaction
which only holds if the distance r of the atomic electron from the atomic
nucleus is small compared to the collision parameter b. The divergence
can to some extent be remedied by a cut-otT at b=ro, with ro some-
thing like the atomic radius or, using (185.8), at
a . = rO(wk-wO)
PlDln (185.19)
V
No very exact knowledge of the cut-otT radius is needed, since the loga-
rithm varies rather slowly with its argument.
Literature. The method is an abridged form of that used in the theory of nuclear
Coulomb excitation, cf. Alder, K., Winther, W.: Dan. Mat.-Fys. Medd. 29, 19
(1955).
8x = - ~Ax=8osin[w(t -~) + 5J
oz = 80sm. [w(t -
Jt;= oAx ~ z) + 5],
all other components vanishing. The average Poynting vector in z
direction is
- c-- C 2
S=-SJe.
47t x )'
=-8
87t 0
(186.3)
where
ell
W= - - - 8o ie-' - .
"I a (186.4)
2mw ax
we get
and thence the transition probability lj, from the initial state Ii) to
the final state If),
(186.5)
Problem 186. Photoeifect 155
Here PI' the final state density in the energy scale refers to the out-
going electron and is, according to (183.8),
mV
PI = - 3 - 2 ","dOl (186.6)
81t Ii
if V is the normalization volume and Ii"," the momentum of the photo-
electron. The differential cross section for photo-emission into the
solid angle element dOl is IJ/n so that, gathering expressions from
(186.2) and (186.4-6), we arrive at the general formula
dq = e2 V a \2
","dOl \ <II-Ii) (186.7)
21tmcQ) ax
We now are dealing with wave functions in a potential field of
central symmetry, with the ground state Ii) independent of polar angles.
Then,
a
-Ii) =
dli)
-sin.9cosqJ (186.8)
ax dr
(186.9)
where y is the angle between the directions of kl with polar angles e,41
and r with angles .9 and qJ. Then only the term 1= 1 (P term) can con-
tribute to the matrix element so that
a =
<II-Ii)
ax
-
VV
f3i
00
jl(kr) dli)
drr2-- --
k,r dr
f .
dQcosysm.9cosqJ.
o
Because of
cosy = cos.9 cose+sin.9 sin e(cos qJ cos41+ sinqJ sin4l)
the angular integral yields
so that we arrive at
a
<ii-Ii)
or
4n i
= -
VV sine cos<P
f00
jl (Iy r) dli)
drr 2 - - - -
Iyr dr
o
and, according to (186.7),
(186.10)
for a K shell electron (screening constant s, cf. Problem 178) we get for the integral
in (186.10)
where x=k,r. This integral can be evaluated in an elementary way and yields
__ 2 . kja2
J- 0Ui (1+kJa 2)2
This formula can only hold for k,a'P 1, because otherwise the plane-wave ap-
proximation would be quite insufficient; so we may write
and
du 32e 2
dDt = mca s . wkj
or, with
finally,
Problem 187. Dispersion of light. Oscillator strengths 157
This formula shows the main features of more exact calculations: rapid increase
with Z - s, rapid decrease with growing quantum energy h(i), roughly proportional
to (i)-3.S, order of magnitude in atomic units e2 /hc, and correct angular distri-
bution.
Literature. Stobbe, M.: Ann. Physik 7, 661 (1930). - Retardation effects in
hydrogen: Sommerfeld, A., Schur, G., Ann. Physik 4, 409 (1930). - Relativistic
treatment: Sauter, F., Ann. Physik 11, 454 (1931).
A light wave as defined in the preceding problem (but take b=O) inter-
acts with an atom. The induced polarization shall be calculated from
which the oscillator strengths may be derived. Only one electron shall
be taken into account, and all matrix elements, neglecting retardation,
reduced to matrix elements of electrical dipole moments.
Solution. In the Dirac notation of Problem 181 the atomic wave
function under the action of the light wave may be written
t/I = Lal(t)ll) e- iw1f
I
if II) is a state of the unperturbed atom. Using (182.2) for the coefficient
al(t) and omitting all switch-on effects of the light wave, we arrive at
1 { ei(WI-WO-W)f
t/I=IO)e-iwOf - -
h 1
L (/IWIO)---
WI-Wo-W
ei(WI-WO+W)f}
+ (/IWtIO) II) e- iw1f .
WI-WO+W
Here 10) denotes the atomic ground state and II) any excited state so
that WI - Wo > 0 and only the first term in the sum shows resonance.
Neglecting the other term we then may start from the wave function
Now we know that for the optical properties the induced dipole
moment Pind plays the essential role. It follows from (187.1) according to
Pind= -e{JtPxt/l*rt/l-(OlrIO)}. (187.2)
Neglecting second-order corrections we thus get
Pind = -=- L (Olrl/) (/IWIO)e-iwf+(/lrIO) (/IWIO)*eiwf (187.3)
h I WI-WO-W
158 Non-Stationary Problems
- :~ {(llxV2Ik)-(klxV211)*}=h(wk-w,)(llxlk). (187.6')
Now, according to
where w). is the eigenfrequency of the Xth electron and f)., the so-called
oscillator strength, gives the number of electrons per atom in a state of
eigenfrequency w)., in this classical picture. That the oscillator strengths
turned out experimentally not to be integers raised the first doubts in
this classical picture.
The quantum theoretical formula (187.8) gives formally a very
similar result. We may write,
n 2 -1 4n ~ h
-2 - = - N -
n +2 3
L ------::--~
m, (W,-WO)2-W 2
(187.11)
(187.12)
160 Non-Stationary Problems
h h2
- -; if, = - - V2ljJ - P" t'ljJ (188.1)
I 2m
the last term is the interaction energy of the magnetic field ;e with the
magnetic moment " of the particle. The latter is defmed as the vector
operator
,,=
Jl.tI (188.2)
with tI the spin vector whose three components are the Pauli matrices
(cf. Problem 129).
For 1<0, only the field Jrollz is acting on the particle; the solution
of (188.1) then is
(188.4)
Problem 188. Spin flip in a magnetic resonance device 161
If now, at 1=0, the field Jr'lIx is switched on, the state of the particle
undergoes a change so that its wave function may be written
(188.5)
(188.7)
(188.8)
162 Non-Stationary Problems
in what follows we shall write w' and - w' for these two roots. Then
the set (188.7) will be solved by
a(t) = A, eiw't + A" e-iw't;
b(t) = B, eiro't + B" e-iro't
with
B -
V
+ Jt'2 +Jt"2_Jr.
0 0A
'." = Jt" '." .
la(tW + Ib(tW = 1.
(188.11)
Eq. (188.11) shows that the experimental device may be used to deter-
mine the magnetic moment of an atom of spin th (as an alkali atom in
its ground state). If atoms are focussed if they do not undergo spin flip,
Problem 188. Spin flip in a magnetic resonance device 163
but defocussed if they do, and the magnetic fields are varied during the
course of the experiment, the beam intensity will become a minimum,
2 Jr~
la(to)lmin = Jr~ + Jr ' 2
if
I
II
!:
II
VJr~+Jr'2 - = - .
v 2
1t
(188.12)
Remark. In this chapter we use the fourth coordinate x4=ict and Euclidian
metric. Greek subscripts (e.g. X/l) run over p. = 1,2,3,4, Latin subscripts (Xl) over
k=1,2,3, only.
(189.1)
(189.3)
Now the y's must be independent of the special choice of the kp's. The
latter can only be eliminated from (189.3) by using the relativistic
dispersion law,
2
",2 2 W 2
L."kp == k - 2"" = -x , (189.4)
p c
The latter equation becomes identical with (189.4) if, and only if, the
double sum is reduced to diagonal terms of appropriate normalization,
in fact, if
')I/l')ly+')Iy')I/l=215/lY ' (189.6)
If an analogous procedure is applied directly to the Dirac equation
(189.1) without using plane waves, we have
",2", = (L')I/lO/lY'" = L L')I/l')lyo/lOy.
/l /l Y
with all bold face letters meaning 2 x 2 matrices. From (189.6) we then
find
(189.9a)
(189.9b)
From (189.9b) we get A,,=O, D,,=O for the three first matrices, and
from (189.9a) it follows that
(189.10)
These are three anticommutation rules for 2 x 2 matrices allowing
reduction to the Pauli matrices, u" (cf. Problem 129). If a and b are two
numbers, Eqs. (189.10) are satisfied by
:-~ -~);
(often used in the following problems) is obtained by the choice b= i;
the four matrices then become
o1 -1) 0
o 0 '
o 0
(189.13)
o- i
o o
o o
-i o
NB. With b=a= lone obtains the set of matrices
_(0Uk
(Xk - Uk)
0
(189.14)
instead of the three Yt's. Together with Y4=P as above, they obey the same com-
mutation laws. They are connected with the Y's by the relations
Yk= -iP(Xk; 1'4=P (189.15)
The (X's are used to advantage in the Dirac hamiltonian, cf. Problem 200.
(k,,+iky)C 3 -k z C4 + ( - ~ + x) =0, C2
(190.2)
-(k,,-iky)C 2 -k z C 1 + (~ + x) =0, C3
-(k,,+iky)C 1 +k z C 2 + (~ + x) C =0. 4
168 The Relativistic Dirac Equation
(190.4a)
(190.4 b)
V=C--.
2" (190.4c)
1 +,,2
It is also useful to introduce two polar angles 9 and qJ, determining the
direction of the vector k,
kx_
+iky =k singei'P., kz=k cos9. (190.5)
. +. 1
-smge I'PC l +cos9C 2 + - C4 =0.
"
"
This is a homogeneous system of linear equations for the four C,.'s.
Its determinant vanishes, as may be easily checked, but it can also be
factorized in two factors each of which is zero. It is not therefore possible
to express all the C,.'s as multiples of one of them, and there remain
two C,.'s to be chosen arbitrarily. Therefore we shall proceed in another
way.
We first look for eigenfunctions of the helicity operator
1
h = -k L:-
'" qk
J J'
(190.7)
J
Problem 190. Plane Dirac waves of positive energy 169
Uj = (;; ~),
we find the defmition (190.7):
and the same pair for C3 and C4 The determinant of (190.9) vanishes
if h = 1; thus we arrive at two solutions:
h= + 1 (spin parallel to k):
8 .
C2 =tan-e''''C 1 ; (190.10)
2
and
h = -1 (spin antiparallel to k):
(190.11)
. 8 . .9
sm80 tan I + cos8o=1; sm8ocot I - cos8o=1;
. 8 8 . .9 8
sm8o-cos8otan- = tan- sm8o+cos8ocot- = cot-
2 2' 2 2
170 The Relativistic Dirac Equation
9 +2-."
sin Ie 2
and
NB. The unrelativistic case, according to (190.4c), leads to ,,~1. The com-
ponents 1/13 and 1/14 of the spinor then may be neglected, and we fall back upon
the two-component Pauli spin theory.
Here all e"l are real, and the three e"4 purely imaginary. The Dirac
equation
(191.2)
with unchanged coefficients y" and x. The operators D" are four-
vectors transforming under the same law as the coordinates (191.1):
D~ = D" + }::e"pDp; (191.3)
p
e
" p "
From this equation shall be determined. Neglecting all second-order
contributions, we find
L(y"e-ey")D,,I/! + L Le"py"Dpl/! = 0
" " p
or, exchanging the dummies Jl. and p in the double sum (and writing v
instead of p),
L{(y"e-ey,.}- L e"vyv}D"I/! = O.
" v
172 The Relativistic Dirac Equation
Since this relation is supposed to hold for any !/I, each sum term is
bound to vanish separately:
Y/l ~ - ~Y/l = L 6/l v YV' (191.6)
v
The only Clifford number linear in the 6/l v'S satisfying these four
commutation relations is
(191.7)
P "
This can easily be proved by direct evaluation of the commutators
(191.6): We have
*
Y/l~-~Y/l = LL6 pAY/lY pY"-Y pY,,YJ;
p "
here we find
so that
Y/lYpY"-YPY"Y/l = 2(y,,(j/lp-yp(j/l");
therefore
Y/l~ - ~Y/l = tL L 6p,,(y,,(j/lP -yp(j/l")
p "
Expressions of the form (192.1) will be formed with each of these five
sets separately.
Before performing this programme in detail, however, let us inves-
tigate the transformation properties of any of the 16 quantities (192.1)
under the infinitesimal Lorentz transformation
In the preceding problem it has been shown that l/I under this trans-
formation becomes
l/I'=(1+~)l/I (192.4 a)
with
(192.4 b)
P tI
The transform of G is
G' = l/Irt Y4 rl/l' = l/It (1 + et)Y4 r (1 + ~)l/I.
Formally we may write
G' = ?ir'l/I; r = Y4(1 +et)Y4r(1 +~). (192.5)
This can be further simplified when we know a little more about the
hermitian conjugate ~t. According to Eq. (192.4 b), it should obey the
commutation relation
~t Y4 - Y4 et = Let" Yk
and
(192.6)
field components 4" are coupled with the components A" by the
relations
Since the electric field is a polar 3-vector, it changes sign with the x,,'s
under transformation. This leads to
(193.3)
Thus A" undergoes the same transformation as 0" and, in consequence
thereof, D" transforms in the same way. Therefore, instead of Eq. (I')
we may write
- Ly"D"t// +Y4 D41/1' +'Xt// = o.
"
It is immediately seen that with
1/1' = Y41/1 (193.4)
this leads back to (193.1), thus determining the parity transformation
of a spinor.
Any quantity
The behaviour of these two quantities was the same under rotation,
but it now is opposite under space reflection, (1) being called a (genuine)
scalar and (5) a pseudoscalar.
To construct from the spinor t/I solving the Dirac equation for a particle
of charge e the charge conjugate spinor t/lc describing the behaviour
of a particle of the opposite charge - e.
Solution. Let us use the abbreviation a"=(e/hc)A,, with A" the
electromagnetic 4-potential in this problem. Then the Dirac equation
for the particle of charge e runs
(194.1)
"
The equation to be constructed for the opposite charge then must be
Ly,.{iJ,,+ia,.}t/lc+xt/lc = O. (194.2)
"
The charge conjugate t/lc which solves the latter equation shall be
connected with the solution t/I of (194.1).
The operator iJ"+ia,, occurring in (194.2) can be introduced by
using the adjoint equation of (194.1),
(194.3)
"
Transposing the latter again, we find
Ly,,(iJ,,+ia,.}~-x~ = 0
where "
(194.4)
where we omit 14 "'* and are left with the four relations
1"C=-Cy" (194.6)
to determine C.
Since the problem is homogeneous, there is of course always an
arbitrary factor in "'e.
It is reasonable to fix it as far as possible by
postulating that charge conjugation shall not alter the normalization,
(194.8)
It follows that C is an unitary operator.
Specializing to standard representation we note that
(194.10)
which is the only one of the 16 basis elements of the Qifford algebra
satisfying the four conditions (194.6). It may be noted that from (194.10)
we find
(194.11)
It then follows from (194.5) that the charge conjugate wave function
in standard representation is
(194.12)
Problem 195. Mixed helicity states 179
DC == ~kY3 - ~ Y4 + x) C = 0 (195.2)
but
kC 3 + (- ~ + x) C l = 0;
so that
and (195.6)
C4 = AC 3 ; C3 = AC4
Both pairs of equations can only be satisfied for A= 1. Using (195.6)
we may eliminate C2 and C4 from Eq. (195.4) thus arriving at
C3 = 'lCi and AC 3 = -'lAC!>
two relations which contradict each other. Therefore the spinor C
satisfying (195.4) cannot simultaneously satisfy (195.6) as had to be
proved.
NB. In the unrelativistic limit '1 ..... 0, the amplitudes C3 and C4 and hence the
second pair of equations (195.6) drop out so that no contradiction remains.
(196.1)
'l
for positive and negative helicities, respectively, we construct the mixed
state amplitude,
C = C+ coslXeill+C_ sinlXe- ill (196.2)
of the same normalization,
(196.3)
Problem 197. Algebraic properties of a Dirac wave spinor 181
Then,
or
(196.5)
Given a potential V(z). The wave spinor of a state, with spin in either
positive or negative z direction, may not depend upon x and y (one-
dimensional problem). As far as possible, the Gifford algebra shall be
used without recourse to matrix representations. There will then remain
four functions of z satisfying a set of coupled differential equations.
They shall finally be expressed by the four component wave functions
in standard representation.
182 The Relativistic Dirac Equation
du
}'3dz +}'4 Q(z) u+xu= 0 ; Q(z) = V(zli)C- E . (197.2)
(197.5)
of which it yet is no eigenspinor. The extension (197.4), however, permits
the solution of the Dirac equation to be made an eigenspinor of (1,..
We find
(1,.r = r, (197.6)
we arrive at
(1zU = u. (197.7)
The two eigenvalues + 1 and -1 are called helicities (cf. Problem 190).
N ow it can easily be seen that
(197.8 a)
and
r_ = 1 +i}'t}'2 = 1-(1,. (197.8 b)
B'+QC+xA=O; A'-QD+xB=O;
D'+QA+xC=O; C'-QB+xD=O. (197.11)
-~u,~+(Q+X)Ul =0, }
'"4 +(Q+x)u2 = 0, (197.15)
iU'l +(x-Q)u 3 = 0,
-iu~ +(x-Q)u4 = O.
184 The Relativistic Dirac Equation
(198.2)
since the Clifford numbers i1'l 1'2,1'4,1'3 are hermitian operators. Thus
we obtain
Sil = iec(1- i1'l 1'2)(1-1'4)(Wj + Wt'l'3) 1'4 1'1l(W3 +wi 1'3)(1- 1'4)(1- i1'l 1'2)'
(198.4)
For the components Si and S2 the Clifford number I'll may be shifted
through two places towards the end of the expression, whereas 1'4 may
be shifted one place towards its front:
Sl,2 = iec(1- i 1'11'2)(1'4 -1)(w; - wt 1'3)(W3 - Wi Y3)(1 + Y4) Yi,2(1- i Yl Y2) .
The operator 1- i Yl Y2 commutes with Y3 as well as with Y4' so that
Sl,2 = iec(Y4 -1){(lw312 + IWlI2)
-(wiw3 +Wj Wi)Y3}(1 +Y4)(1-iYi Y2)Y1,2(1-iYl Y2)'
The last three factors give either, for JI.= 1,
(1-iYl Y2)(Yl -iY2) = Yl +iY2 -iY2 -Yi =
or, for JI.=2,
Problem 198. Current in algebraic formulation 185
Shifting the front factor (Y4 -1) one place towards the right, we get
S3 = 2iec {(WtW3 -wfw1) (1-Y4)
+(lwlI 2 -IW312)Y3(1 +Y4)}(1-Y4)(1-iYl Y2)
Since
(198.6)
the second term in the curly bracket does not contribute and we arrive at
S3 = 4iec(wt W3 -WfWl)(1-Y4)(1-iYl Y2) (198.7)
Finally, we get in a similar fashion
S4 = iec(1-iYl Y2) (1-Y4) (wf +Wf'l'3) (w3+Wl Y3) (1-Y4) (1-iYl Y2)
= 2iec(1-Y4) {(Iwl12 + Iw312)+(Wt W3+w!wlh3} (1-Y4)(1-iYl Y2)
= 4iec(lwl 12 + Iw312)(1-Y4)(1-iYl Y2). (198.8)
The expressions for S3 and S4 are still Oifford numbers but of the
same shape. They are to be compared with the normalization expression,
p = e(lwlI2+lw312)r (198.11)
186 The Relativistic Dirac Equation
(0 000) 0)
-1+0, -(~
0
000 0 0 o
o 0
1-Y4 = 0 0 2 0 ; I-iy,y, 0 2 0 '
000 2 0 o 0
thence we find the product
00)
r_16(~
o0 0 0
(198.14)
010
000
a matrix which, in diagonal form, consists of only one element.
L "I,,(a,,-ia,Jt/I+'Xt/I = 0;
a-
a"=ax,,; e
a" = lie A" (199.4 a)
"
by an analogous differential equation for iii = t/lt "14. The operators
it = ~e: (t/I a" t/I. - t/I. a"t/I + 2ia" t/I. t/I), (199.5)
e - ehi iJ -
sP=;ncurl(I/ISI/I)-2mc iJt(I/IIZ.I/I)
where Sl = iU1 are the components of the spin vector (written in 4 x 4 reducible
matrices) and the 0[1 are the matrices defined at the end of Problem 189. In a plane
wave the polarization current vanishes.
Write the Dirac equation in hamiltonian form and split up the resulting
four-component equation of standard representation into a pair of two
component equations. Pauli matrices will occur in the latter. Show that
for rest mass zero (e. g. for a neutrino) two two-component theories
are possible.
Problem 200. Splitting up of Dirac equations into two pairs 189
with
(200.2)
the hamiltonian.
In standard representation we have
-is,,).
o '
(200.3)
with SrI the three Pauli matrices and 1 and 0 standing, respectively, for
the 2 x 2 matrices of unity and zero. Then,
0(" =
.
'Y4Y" =
(0
SrI
SrI)
0 (200.4)
(200.5)
(200.7)
(200.9)
Since the two systems decouple, there emerge two independent two-
component theories of particles of rest-mass zero. It can easily be seen
that, in the force-free case, the parameter A becomes identical with the
helicity quantum number. For this purpose we study a plane wave in
z direction,
I/Ia = Ce ikz
with C a constant two-component spin or. The first term of (200.9)
then becomes
(200.11 b)
( 0-1)
')15 = -1 0
( 1-1)
so that
1+')15= -1 1;
they lead to
(200.12 a)
they render
(200.12 b)
It cannot be decided whether, due to some unknown principle, only", _ is realized
in nature, or whether the interaction operator producing neutrinos contains a
factor 1 +')15' thus making creation of A= + 1 neutrinos impossible. It should be
noted, however, that 1 +')15 is an operator without defined parity.
(20Ll)
~=(~:) (201.2)
(Tn
= (Sn
0
0)Sn '
where the normalization of fir) and g(r) is still left open and may be
different in (201.4a) and (201.4 b).
Problem 201. Central forces in Dirac theory 193
pressions
SuI,U= s.,o.,uI,U=(o.; . . Ox-iOY)uI,U. (201.5)
.,=1 Ox+IOy, -0.
Using the well-known formulae
(l=t=m)(l=t=m-l) ( ' 1+ 1 )
- (21+ 1)(21-1) F + -r- F i-1,m1
and
(l+m+l)(l-m+l) (FI-.i.F) Y;
(21+3)(21+ 1) r 1+1,m
(201.7 a)
-
_ 1 ~
1~
j+!
9j+t + -
I
9j+t
) (
1;;---r Y
vJ-il
Yj-t,o) (201.7 b)
v2j r -Vl-2 j-t,1
for j=l-t.
194 The Relativistic Dirac Equation
In order now to satisfy Eqs. (20Ll), we first try the type of solution
(201.4 a):
2 II 0
S UII -I E - Vlie- m e uI = 0 ; S U I -I.E-V+me
2
lie U = . (201.8)
Putting ul and ull from (201.3 a, b) and Sull, SUi from (201.7a, b) into
(201.8), we find (omitting the subscripts of f and g)
S uII - I.E-V-mc2 uI
lie
1 ~,j+!
_ -
-
2
g +-g-I.E-v-me f )( 1/;1 Vj+tYj-t.o)
V2J r lie -vj-t Yj-t.l
and
2
S uI - I. E - V +me uII
lie
= 1 (f'-j-t f_iE-V+mc2 g\(V~+tYj+t.o).
V2U+1) r lie ') VJ+1: Yj+t.l
These expressions vanish if the radial functions f(r) and g(r) satisfy the
coupled differential equations
g, +-g-I
j+! .E- V(r)-me 2 f =0, }
r lie
(201.9 a)
, j-t
f - -f-I
.E- V(r)+me 2
g=O.
r lie
The type of solution (201.4 b), on the other hand, with ul and ull
exchanged in (201.8) leads in the same way to formulae in which the
role of the two equations (201.8) and thus the signs of the rest-mass
terms are exchanged. Thus we arrive, not at (201.9a) but at the set of
differential equations
2
- g - I. E- V(r)+me f =0, }
g, + j+!
r lie
(201.9 b)
, j-t
f - -f-I
.E- V(r)-me 2
g=O.
r lie
The differential equations (201.9a) and (201.9b) have still to be
solved for any given potential V(r), separately, thus providing the
complete solution. By their coupling they determine the relative nor-
malization of the two functions f and g.
Problem 202. Kepler problem in Dirac theory 195
There is another set of type e+"a which we need not discuss. For r-+O, on the other
hand, we expect regular solutions of the form
g=Ar s - 1 ; f =Br s - 1
g=cr'i-le-rlaG(r); }
(202.6)
f = - - Cr'-l e- r1a F(r);
J.l
then, from (202.4), there follow the differential equations
(202.7)
This we put in the second equation (202.9) which thus becomes a second-
order equation for only v, viz.
(202.12)
V= IFl(S+P,2S+1;2~). (202.13)
- ~:~ IFl(S+P+1,2S+1;2~)};
(202.15)
j= - 2iJ.l Cr'-le-rla{IFl(S+P'2S+1;2~)
!p me 2
2
+E}
E = -(nr+s).
2 me -
(202.17)
(203.1)
Problem 203. Hydrogen atom fine structure 199
If this is inserted into the energy formula (202.17), the principal quantum
number,
n=nr+j+!, (203.2)
may be introduced with advantage. We then have
or
(203.3)
-Since
me4
me 2 a.2 =112-
we arrive at the level formula for hydrogen, in first relativistic approxi-
where the first term is the rest energy, the second term, for !X 2 = 0, the
unrelativistic Balmer term (cf. Problem 67), and the square bracket pro-
vides a first relativistic correction of the order of !X2 =0,532 x 10- 4 or
about 2~O percent of the binding energy. Since this correction depends
upon j as well as upon n, each unrelativistic level will split up into
several fine-structure components.
Next let us expand the length parameter a, Eq. (202.3). This leads to
(203.5)
!X [
J-I.=2n 1+ n2
!X
2
(n 1)~
2j+I-4~; (203.6)
(203.7)
200 The Relativistic Dirac Equation
f= /-te-~{lFl(-nr'2j+2;2~) (203.9)
- ;'.
n,+ J+
I1Fl(-n,+1'2j+2;2~)}.
a
(203.9S)
where y=l/a. This is readily seen as follows. With j=l+t, Eq. (203.2)
renders for the principal quantum number n = n, + 1+ 1 so that
n,=n-l-l and
f = r1e- Y' {lF1(l+ I-n,21+3 ;2yr)
n-l-l }
- n+l_l 1F1 (l+2-n,21+3;2 y r) .
into
C 2/+2
IF1(a,c;z)= 1 1 1F1 (l+1-n,2/+2;2yr)
c-a n+ +
as required in Eq. (203.9 S).
Problem 203. Hydrogen atom fine structure 201
ul=_l-f(r)( Vj:-ttj-t. o )
V2i -VJ-2" Yj-t.l
and
U
U = 1 g(r) ('Vr::t"I
~Ti Yj+t.o)
V2U+l) YJ+2 Yj+!.l
in either of the two forms
We have seen that for the fIrst solution, "'., g4..f, for the other, "'b, f 4..g so that
they approximately simplify to
Thus there remains the unrelativistic two-component spin theory in which now
j=l+t for "'. andj=l-t for "'b
without any mixing of different I-values for the
samej.
We further know that the "big" function in "'. is
f=ri-te- r/n If1U+t-n,2j+l;2yr) with j=l+t
and in "'b,
g=ri+ t e- r/n If1U+i-n,2j+3; 2yr) with j=l-t.
If, and only if, the fIrst parameter of the confluent series is zero or a negative integer,
there exists a normalizable solution. Thus we arrive at the lowest possible states
given in the following table. Their radial wave functions, either f or g, are identical
with those of the unrelativistic theory treated in problem 67; their two-component
character agrees with the unrelativistic spin theory, cf. Problem 133.
Spectroscopic
j Solution symbol for
1
"'. "'b "'. "'b
2" n~l n~2 nSt nPt
i n~2 n~3 nPt nDt
t n~3 n~4 nDt nFt
The energy levels, according to (203.4), are, except for the residual energy,
En,j= -E~-AEn,j
with (in multiples of the atomic unit m e4 /h2 = 27.2 eV)
1
~=2n2
Problem 204. Radial Kepler solutions at positive kinetic energies 203
its relativistic correction. For n=3 the energy values and their corrections are
tabulated. The table shows that the splitting is larger the lower the level. That is
the reason why the red H a line (n = 3-+n = 2) appears to be roughly a doublet of
(2.08-0.42) x 10- 6 x 27.2eV
or 0.365 cm - 1 splitting.
he"k=---
E-me 2
"
k E+me 2
he
(204.1 a)
,,= (204.1 b)
gl+j:!g+i( -"k-~)f=o'l
r- j-! f-i(~+t)g=o.
(204.2)
r "r
We solve these equations in full analogy to Problem 202 by putting
with
S=VU+t)2_p2. (204.4)
After a straightforward calculation, using the abbreviations
(204.5)
_;f?
c r(2s+ 1) e {e -!~!+iQI09 2k, i e -!~!-iQlog 2k, e- 2ik'}
w-+---'------ + '--
(2kr)S r(1 +s+iQ) r(s-iQ) 2kr
Problem 204. Radial Kepler solutions at positive kinetic energies 205
and
_"Q { _i"S+iQlog2kr
C r(2s+1)e 2 s-iQ e 2 1
v --+ - - - - - - - - - - : - - -
(2kr)S j+!+iP ir(s+iQ) 2kr
i~' -iQlog 2kr }
+e e- 2ikr
r(l +s-iQ)
Here, the second term in the w bracket and the first term in the v bracket
are of an order l/kr smaller than the other terms, respectively, and may
thus be neglected. Therefore, using (204.3), we arrive at the results
rg--+ C 1 ei(lcr+ Q log2ltr) + C 2 e-i(kr+ Q log21cr),
'1r f --+ C 1 ei(kr+Qlog2lcr) - C 2 e-i(kr+Qlog2kr)
(204.12)
because of
Q2_p 2={P and S2=U+t)2-p2.
We therefore finally arrive at
. sine
g=IC11 e'" 2i--; (204.15)
r
with
1[S
e=kr+Qlog2kr - - - (-/5. (204.16)
2
206 The Relativistic Dirac Equation
NB. The result may be compared with the unrelativistic theory where '1 ~ 1
so that f ~ g. This gives
where, according to (204.5) and (204.1 b), Q may be expressed by E and further by
the velocity v at infinity. From the well-known relation
( :22)-t
E=mc 2 1-
i.e. Q becomes identical with x, Problem 110. From (204.1 b) one further gathers
that Ilk is the momentum of the electron, at infinity. The first two terms in the
argument of (204.17) therefore agree with the classical expressions. The constant
phase angles, in the same approximation, follow from
71:
= 71: + i'+argr(I+I+lx),
and as the wave function is defined except for a sign (i.e., for a phase 71:) we arrive
finally at
in complete agreement with the results of Problem 111, but for an attractive
Coulomb potential.
(205.1)
Problem 205. Angular momentum expansion of plane Dirac wave 207
(205.2)
instead of(201.9a)
.+.J.
g' +~g-ik'1f=O; (205.3 a)
r
j_1. k
/, _ _2 f-i-g =0. (205.3 b)
r '1
From (205.3 b) we get
k J._1.
.
I-g= f' - -2f (205.4)
'1 r
and by differentiation
k . 1 . 1
. '-f" -J-2
I-g- - f ,+J-2
-. f
'1 r r2
(205.5)
with the prime denoting differentiation with respect to the argument kr.
The general formula
1+ 1
j;(z) - -j,(z) = - j, + 1 (z)
Z
then permits to write
i'1
g = - h+t(kr). (205.7)
kr
208 The Relativistic Dirac Equation
(205.8)
II 1
1/1.=-
J kr
(205.9)
Here it is correct to sum over all I~O. In the terms j=l+t, this follows
directly from j~!. On the other hand, for j=l-t the sums would start
with 1= 1. In the second and fourth line, however, the zeroth term
vanishes because Yo, 1 =0. There remain j=l-t terms in the first and
third line with 1= 0, but again these vanish due to the factor VI.
In order to make the sum (205.11) identical with (205.1) we need only
put
(205.12)
with U(r) = V(r)/hc. It can easily be seen that, for U(r) decreasing more
steeply than l/r, the asymptotic solution may be written
(206.2 a)
with
(206.3 a)
The two functions are mutually shifted by a phase angle 7[/2 and their
respective amplitudes, given in arbitrary normalization, are coupled in
such a way that, as the unrelativistic limit (,,-+0) is approached, I j
becomes the big and gj the small wave function. If I j is chosen to be real,
gj is purely imaginary. The phase a.j is determined by integrating the set
(206.1 a) with the boundary conditions gj(O) = 0, Ij(O) = O. In the classical
approach, j=l+! so that we get
at large r.
i . 1
g-+-Stn-r j.-+-cos-r.
r
(206.2 b)
J"r J' J J
and
(206.3 b)
with other phase constants Pj than in case I. Since (206.1 b) differs from
(206.1 a) by " being replaced by 1/", in the classical limit there will gj
become the big, and I j the small wave function. This leads to the iden-
tification j = I-! in this approach:
Problem 206. Scattering by a central force potential 211
We have further seen in Problem 201 that there exist two solutions
I/I} and I/I}' for each value of j belonging to spin in positive z direction,
constructed from these two sets. They behave asymptotically as
Vj+! --cosO"
2j Y-t , 0
J J
-V -! j
2j cosO"J Y-t 1
.Vj+! .
J ,
1
1/1'.-+-
J kr 1M
2U +
'r
--
1)
smO"J Y+t
J ,
0
.~.+! . Y+t
--smO"
1M
'r 2U+ 1) J J ,
1
(206.4)
-i~+.!.
_ _2_ sin"t". Y+t 0
" 2U + 1) J J ,
-iVj+!
--sm"t". y. t 1
" 2U + 1)
1/Iff
J J+,
1
I/I~'-+- .+.!.
J kr _ _2-COS"t". Y-t 0
2j J J ,
-V -! j 2j coS"t"J Y-t
J ,
1
This has the same structure as the plane wave (205.11,12) with which it
becomes identical if CCj=O and {Jj=O for allj. Let us write the plane wave
The boundary conditions of a scattering problem, for r-+ 00, are then
satisfied if, and only if, the difference
(206.9)
contains no incoming spherical wave parts of the form e-ikr/kr but only
outgoing waves so that it may be identified with the scattered wave.
This, according to (206.6), leads to four coefficient relations, viz.
Fig. 72 a-c. Three potential steps of different heights. The energy domains in which
the particle can move are indicated by hatching
214 The Relativistic Dirac Equation
(207.3)
with
V(z)-E me2
Q= he ; X=-. (207.4)
he
Let us introduce, instead of Ul and U 3 , their symmetric and antisymmetric
combinations,
(207.5)
then, instead of (207.3), we have the equations
- x IP. = i IP~+ Q IPa; XIPa= i IP~ -Q IPs (207.6)
which permit a simpler elimination of one of the two functions than do
the original equations (207.3). We find
IP; + [Q2_ X2+iQ'] IP.=O. (207.7)
We have to solve this differential equation with fitting boundary condi-
tions and afterwards to derive IPa from the second equation (207.6) in
order to solve the problem completely.
The differential equation (207.7) can be written with rational coef-
ficient functions if we use the variable
(207.8)
instead of z with
du 2 du
dz = -I x(l-x) dx; V(z) = Vo(1-x). (207.9)
Further, we shall introduce an energy unit 2he/l and use the dimension-
less abbreviations
(207.10)
X(I-X)~[X(I-X)
dx
dIPs] + {[vo(1-x)-e]2- e~+ivox(l-x)}lPs=O.
dx
(207.11)
Problem 207. Continuous potential step 215
If we put
lPs=x V (I-x)1' f(x)
(207.12)
with
(207.13)
(207.16)
r(c)r(c-a-b)
2Fl(a,b,c;x) = 2Fl(a,b,a+b-c+ 1;I-x)
r(c-a)r(c-b)
c-a-b r(c)r(a+b-c)
+(I-x) 2Fl(C-a,c-b,c-a-b+ 1; I-x)
r(a)r(b)
or, with
e2z/ 1
I-x = -+e 2z/1
1 +e 2z/1
216 The Relativistic Dirac Equation
and (207.16), to
(207.17)
A = r(2v+ l)r(2Jl) . B= r(2v+ 1)r( -2Jl)
r(v+ Jl-ivo)r(v+ Jl+ivo+ 1)' r(v- Jl-ivo)r(v- p,+iv o+ 1)
(207.18)
where B differs from Ajust by the sign of Jl. The function ({J. therefore is, at
large negative z, composed of an incoming wave with amplitude A and
a reflected wave with amplitude B, conforming to the physical problem.
Hence the special solution (207.15) satisfies the boundary condition at
large negative values of z. The same composition of two waves holds for
({J" if we apply the second equation (207.6) to the asymptotic function
(207.17),
(207.19)
. .
R=JrerJ};n =
IBI2 E + PC
A E-pc' (207.26)
must become = 1.
This can easily be derived from A and B, Eq. (207.18), by using the
identity r(z+ l)=zr(z),
B v+J.t+ivo r(v+J.t-ivo)r(v+J.t+ivo).r(-2J.t)
(207.27)
A v-J.t+ivo r(v-J.t+ivo)r(v-J.t-ivo) r(2J.t)
Since
J.t= -iu
is always imaginary, the last of the three fractions in (207.27) never
contributes to the absolute square IB/AI2. If v is real (case b), the second
factor also is the ratio of two conjugate numbers not contributing.
There then remains
BI2 V2+(VO-U)2 2vo(e-u) E-pc
I
A = v2 +(VO+U)2 = 2vo(e+u) = E+pc'
E - Yo) 'k'
q> = ( - k'
-+ - - e' % = E' - p' C e''k' %
a X m~ m~
where p' = 11k' is the particle momentum for z~ + 00, and E' = E - Yo.
The electrical current transmitted is then, according to (207.20),
. . 1 p'c(E'-p'c)
T=ltrans/};n = IAI2' pc(E-pc) . (207.29)
218 The Relativistic Dirac Equation
In now computing IAI2 from Eq. (207.18) we use, besides r(z+ 1)=zr(z),
the general formula
n
Ir(iyW= . h (yreal);
YSlD ny
we then have, with
Jl=-ia, v=-ia',
2 a a+a' -Vo sinh2na sinh2na'
lllAI = _. . (207.30)
a' a+a' +vo sinhn(a+a' +vo) sinhn(a+a' -vo)
Combining (207.30) with (207.29), there occurs a factor
p' c(E' -p' c).~. a+a' -vo = (E' -p' c)(pc+p' c- Vo)
pc(E-pc) a' a+a' +vo (E-pc)(pc+p' c+ Vo)
which can easily be shown to be = 1: if we replace Vo by E - E', the
expression may be written
(E' - p' c)(E' + p' c)-(E' - p' c)(E - pc) = 1
(E-pc)(E+pc)-(E-pc)(E' -p' c)
since E'2_(p' c)2=(mc 2)2=E2_(pc)2 in the first terms of numerator
and denominator. We therefore finally obtain the coefficient of trans-
mission,
sinh 2n a sinh 2n a'
T=---------------------- (207.31)
sinhn(a+a' +vo) sinh n(a+a' -vo)
The denominator can be suitably reshaped so that the characteristic
quantity vo, proportional to the product of breadth and height of the
step and independent of the particle energy, is isolated from the momen-
tum quantities a and a':
sinh 2 n a sinh 2 n a'
T= . (207.32)
sinh2n(a + a') cosh 2n Vo - cosh2n(a + a') sinh 2 n Vo
In case a of Eq. (207.2), we still have a+a'-vo>O or Vo<(p+p')c.
This is the normal case which also occurs in unrelativistic theory. In case c,
on the other hand, we find a + a' - Vo < 0 and therefore T < o. The wave
then penetrates, for large positive z, into the domain or negative energies
(cr. Fig. 72) where negative electrical current accompanies positive momen-
tum. If nVo~l or
2nhc
VO~-I-'
the expression (207.32) becomes
nip nip' ,,/Vo
T= -4 sinh - sinh - e --';c-
h h
Problem 208. Plane wave at a potential jump 219
-IJo: '1"
Ie
.", rp z=O
On the surface z = 0 there must hold for all values of x and y the
relation
t/I + t/I' = t/I" (208.1)
according to which the three k vectors have the same x and y components:
k sin 8 cos qJ = k sin 8' cos qJ' = kIf sin 8" cos qJ" ;
k sin 8 sin qJ = k sin 8' sin qJ' = IC' sin 8" sin qJ"
220 The Relativistic Dirac Equation
Csin ~ +Dcos ~ )
Ccos ~ -Dsin ~
1// = -V-;::::'V=(1=+::::;",2;::-)
(
",(C sin ~ - Dcos ~)
",(Ccos~ +Dsin ~)
From the first pair of equations we then eliminate C and from the other
pair D so that there remain relations connecting the amplitude coef-
ficients E and F of the transmitted wave with A and B of the incident
wave, viz.
(1- p2) A=! r[(1 +A)(1- pq) E +(1-A)(P+q) F];
(1_p2) B=!r[ -(1-A)(P+q) E+(1 +A)(1-pq)F]. (208.9)
If, into this latter expression, h instead of BIA and h" instead of FIE are
introduced according to (208.10) and (208.11), a simple calculation
finally leads to
l-u 2 2u 1111.:2
h " = - h - - V l-h. (208.15)
1 +u 2 1 +u 2
If the incident wave is completely polarized in either of the two
directions (h= 1) we find
l-u 2
h"=+--
-1 +u 2 '
i. e. a partial depolarization will occur at the potential jump which is,
however, of second order only in the parameter u. An entirely unpolarized
beam (h=O), on the other hand, leads to
2u
h"=---
l+u 2
the potential jump giving rise to at least partial polarization. The latter
effect is of first order in u. Since u in reasonable arrangements generally
turns out to be rather small (about 0.1), the partial polarization of an un-
polarized beam will be of greater interest than the partial depolarization
of a beam of well-defined helicity. It should further be remarked that u
vanishes for perpendicular incidence, so that grazing incidence will
favour the effect.
jx = 2 ec 2
V(l + '1 )
{(A cos ~2 + Bsin ~)
2
'1 (A sin ~ + Bcos ~)
2 2
./
] -
2ec'1 (C 2 + D2 ) sm
. ~.
0'/
J - 2ec'1 (C 2 + D2) cos 8 (209.2)
x - V(l +'12) , z- - V(l +'12)
-rxA+f3B f3A+rxB
C= , D= - , (209.4)
L1 L1
pA+aB -aA+pB
E= F= (209.5)
2d 2d
2 Interference terms of incident and reflected waves may be omitted for the
J
present purpose since d3 x ei(k-k')r =0. When dealing only with local dependence
of densities, these interferences are of interest, cf. Problem 23.
224 The Relativistic Dirac Equation
(209.8)
and
(209.9)
,," _
_. 1 +"z cos8"
_ ._ 1 l_ qz
_ ._-..1.--'
" 1+,,"z cos8 rZ - I_ pz'
hence
." _ l_ qz .pz+O'z .
Jz- 1 _ pz 4..1. Jz (209.11)
Problem 209. Reflected intensity at a potential jump 225
Eqs. (209.10) and (209.11) when combined with (209.8) and (209.9) then
yield
./ __ { _ 4A(1- p2)(1_ q2)} '. '/1 4A(1- p2)(1_ q2) .
}z - 1 LI }z,}z = LI }z (209.12)
(209.14)
w= - :f
21i d3 xl/lV2 1/1, (210.1)
(210.3)
Here m and e are phenomenological constants not yet explained as
particle properties since, so far, the field does not yet consist of particles.
We further know that a SchrOdinger field must satisfy two conjugate
wave equations,
Ii 01/1 1i2 2 h 01/1
_ _ = _h
2
_ V2 1/1 .
- - - = - - V 1/1' (210.4)
i ot 2m ' i ot2m
~ f
"I'
d3 xe i ("-")r=b",,,.
we get
Q=eLc:c". (210.7)
"
This classical theory now we shall quantize. The wave function '"
shall be replaced by an operator '" which operates on Hilbert vectors X
of particle numbers. The same then holds for the coefficients c" of the
Fourier series (210.5). They have to be replaced by such operators c"
and their hermitian conjugates 4
as to make the eigenvalues of ctc"
integers, viz.
either N" = 0,1,2,3, ... in the Bose case
(210.8)
or N" = 0,1 only in the Fermi case.
If this is done, the three expressions (210.7), too, become operators with
the eigenvalues
(210.9 a)
(210.9 b)
" (210.9 c)
From these relations the commutator of the wave functions can easily
be constructed:
[",(r,t); v/(r',t)] = ~ L ~:Jc" ;ct,] ei(kr-"'r')-i(co-co')t
, " '"
=~ Le "(r-r')=c5(r-r').
i (210.11)
"
This commutation relation apparently holds for both commutator signs.
(211.1)
(211.2)
The integrals in (211.2) are well known from the Born approximation
(cf. Problem 105); with the abbreviation
k-k'=K (211.3)
f f
OC)
i. e. all terms of the sum over k in Eq. (211.5) vanish when W' is applied
to Xi except the term k = ko and here the operator c"o exactly annihilates
the initial particle, thus generating the state vector of vacuum, 10). If
now c,,' is applied, all sum terms will contribute, viz.
The matrix element (211.7) then again leaves only one term of this sum,
in consequence of the orthogonality,
therefore
(211.8)
(211.9)
with
(211.10)
Problem 212. Quantization of classical radiation field 231
where all the quantities refer to the final state. Putting (211.10) in (211.9)
and using the matrix element formula (211.8), the (large but otherwise
arbitrary) periodicity volume if cancels out and we arrive at the result,
(211.11)
With the expression (211.4), this completely agrees with Born's first
approximation formula, cf. Problems 105 and 184.
p= _1_
4n:c
fd3X(tf x .if)=- ~f
4n:c
d3x(A x rotA). (212.4)
with A= 1,2 denoting the two states of transverse polarization and Uk).
a unit vector. There hold three orthogonality relations,
(212.6)
232 Radiation Theory
2x
k=-ft (212.7)
L
w=kc. (212.8)
Since each term in the sum (212.5) consists of two complex conjugate
members, the vector potential A is a real function of rand t, as necessary
in the classical Maxwell theory.
Putting (212.5) in the energy integral (212.3), we get
X {q ei("'r-w't)
"'A' -
q*
"'A'
e-i("'r-w't)}
X {qH ei(lIr-wt)_q:A e-i(IIr-wt)}.
w2
- 2 - (k'k) = w2
{O if k'= -k,
c -22t5).).' ifk'=+k.
c
Hence, there remains
W= Lw (q"Aq:A+q:Aq"A)'
H
2 (212.9)
(212.11)
Problem 212. Quantization of classical radiation field 233
(212.13)
and those of bubL become Nu+l. (Cf. Problem 31). If we further put
Ck = 1fT, (212.15)
VTc;;
and (212.16)
p= Lhk(bubL+bt"bu )
with eigenvalues
""
W= Lhw(Nu+t); p= Lhk(Nu+i) (212.17)
"" ""
This permits interpretation of N"" as the number of photons in a state
defined by k and A, each of the photons having the energy hw and the
momentum in the wave propagation direction hk=hw/c.
There occurs a zero-point energy, i. e. an energy of the vacuum,
hw
Wo=L- (212.18)
u 2
In spite of its being infinitely large, it has no serious physical consequences
and may be normalized away by using
(212.19)
234 Radiation Theory
i. e. the difference of the actual state from vacuum. In the momentum the
zero-point contribution vanishes anyway, because in the sum pairs of
terms with opposite k vectors cancel each other out.
The vector potential A then becomes an operator, creating or an-
nihilating photons. It may be gathered from Eqs. (212.5), (212.11) and
(212.15) that we shall write in quantum theory:
A ="f5. V21tCh
"Ii k {b k).
ei(kr-wI)+bt e- Hkr -
k).
(1 )} u
k).
(212.20)
with A the vector potential and j the electrical current density of matter.
The first has been translated into the theory of quantized fields in Problem
212 3 ,
A ="f5. V21thC
k"li
u().)(b
1<....
eikr+bt e- ikr )
1<),
(213.2)
3 Omission of the time factors of (212.20) and (210.5) in (213.2) and (213.3)
corresponds to the transition from the SchrOdinger to the Heisenberg picture.
Problem 213. Emission probability of a photon 235
The functions un(r) and u:'(r) are one-particle wave functions according
to (213.3), the subscript n (or n') being a comprehensive notation for a
set of three quantum numbers. The Cn and c!. are the operators used in
Problem 210 and may satisfy either of the commutation rules
Cnc!. c!. Cn= bnn ,
(213.5)
CnCn' Cn' cn=O.
(213.6 a)
with
f V 2nhC
<fI H'li) = 1-C d3 x - eh .
- _ie-,I<r"<,,J.l.(u*
k"ll" 2m n, Vu n, -un, Vu*)
n, (213.6 b)
the matrix element of H' between initial and final state. The transition
probability then follows from the Golden Rule (cf. Problem 183),
(213.7)
- 2m
1- * ni
h2 (Ei-Ef) d 3 xunJru J
and from the conservation of energy there follows
Ei-Ef=hw
so that the matrix element (213.6b) becomes
<IIH I e
li>=~i V21the
k"Y w<Ilu~.tl.rli> (213.9)
with
(213.10)
(213.11 a)
e2 41t2 v 3
1',..t
.
=-
he
- 2 - dD"
e
1</1 u~.t)rli)12. (213.11 b)
with the first factor depending only upon the direction and polarization
of the photon emitted, and the second only upon atomic parameters.
and
(214.1 b)
(214.2)
z=r
l~
V3 Y1,o'
Of these three expressions we then form matrix elements between the
two electrons states,
(214.4)
1
1 Ii Rc5m 0
V3 '
With (214.1 a, b) for ,,~;,) and (214.4) for 'if we find for the scalar product
,,~;,). 'if in the case .1.=1
R .~
for m= +1: -cos8e-'
V6 '
R.
O: --sm8
for m= (214.7)
V3 '
R ._
for m= -1: -cos8e''''
V6
and in the case .1.=2
for m = 0: 0, (214.8)
R ._
for m= -1: +i V6 e' ....
Thus, if we write
(214.9)
emission have equal probabilities; only from the initial state m=O are
no photons of this polarization emitted at all. The P state with m=O,
only decaying therefore under emission of a photon in polarization
state .1.= 1, has an angular distribution as sin 2 8, the main direction
Problem 215. Transition probability 239
of emission for m=O thus falling in the equatorial plane 8=90. For
A. = 1 and m = 1, however, the distribution becomes proportional to
cos 2 8 and the emission occurs preferably in the directions 8 =0
and 8= 180.
The light frequency co, in our example, follows from the hydrogen level
formula
3 me~.
co=8 V' (215.5)
P
= (~)8
3
(ehe2)3 me4
h 2 '
(215.6)
(215.7)
The quantity
h3
-4
me
= 2.4187 X 10- 17 sec (215.8)
is a suitable time unit for lifetimes of excited electron states. The factor
h~ = 137.0373
e
is the reciprocal fine-structure constant. The numerical value of the
mean lifetime of the hydrogen 2 P state then becomes
(216.1)
!
so that the matrix element of r has the components
ro drr q>j(r)q>Ar).
<Xl
Rif = 3 (216.7)
seen that for m' = m 1 only the matrix element of x i y, and for
m' = m of z, do not vanish. Any other changes of the quantum numbers I
and m cannot occur in dipole transitions.
Combining these selection rules with the polarization vectors
(216.2 a, b), we may compute the matrix elements
<fl"~J.) rli)
occurring in (216.1), for the two polarization states A=l and A=2.
The results are summarized in the accompanying table.
m' A 1'=1+1 1'=1-1
m= +2--41--------------
+1~_.----_.--------
o-+~._----~~------~---
-1-+~+_----~~~----~~--
-2~~~---~~~---~~
m= + 1-.l'-+-+-----II-+-+-----'-++_
O-~~----~+----~-r-
-1----~--------~----------~
4m=-1 4m=O 4m=+1
Fig. 74. Zeeman transitions D-+ P. There are three lines of different polarization
according to Ll m= + 1,0, - 1
Problem 217. Intensities of Lyman lines 243
mati on. The polar axis e = 0 then coincides with the direction of the
magnetic field. If we observe light emission in field direction, therefore,
the matrix elements for m' = m will vanish, so that only the lines
m' = m + 1 and m' = m - 1 are observed. In any direction perpendicular
to the field, on the other hand, we have cos e = 0 so that m' = m 1
lines appear in polarization state 2, but m' =m in state 1, only.
As an example let us take the Zeeman transition from a D state
(5 components) to a P state (3 components). If the frequency of the line
emitted in absence of the magnetic field is wo, we then find three possible
frequencies in the magnetic field (Fig. 74), viz.
Wl=WO+WL for m'=m-l,} .-
Wo for m' = m, .h
WIt WL
e.ft
= -2-'
W-l=WO-WL
'1
lorm=m+
t" me
lIs) = ~ e- r, (217.4 a)
whereas for the initial state we have either in the LytX case
1
12p) = V21t
4 2n
re- tr cos 8 (217.4 b)
or in the Ly p case
1 jI f 2.9 '
00
o
and
Thus, Eq. (217.2) with (217.3) and (217.5) yields the final result
Literature. Radial matrix elements for other pairs of hydrogen states are given
by Bethe, H. A., Salpeter, E. E., in: Encyclopedia of Physics, vol. 35 (1956), cf.
their section 63, and especially table 13.
Problem 218. Compton effect 245
j= - eh.(t/ltVt/l-Vt/lt.t/I)-~At/ltt/l=j'+j".
2ml me
(218.1)
(218.3)
(218.4)
are put in (218.2), it can easily be seen that W" (arising from j") will
contribute to scattering in first-order, whereas W' (arising from j') does
so only in second-order approximation. We shall therefore in what
follows confine our attention to the term
(218.5)
This interaction term can easily be understood from the viewpoint of the
classical picture in which the electric field strength 8 = -.!..e A of the incident
light wave plucks at the electron according to its equation of motion,
.. eA' ;
mr=-efb=- hencer=-
. e A.
e me
4 In the radiation problems previously dealt with, the last supplement term in
(218.l) would not have contributed in first order.
246 Radiation Theory
charge density, and the interaction between the current and the radiation field is,
according to Maxwell's theory,
W"=~ f d3xj"'A=_e_fd3xpA2.
c J 2 r.nc J
If here we set p = - e t/lt t/I, Eq. (218.5) results.
(218.10)
of drawing. The vectors u~) and u~l) both lie in this plane, U~2) and u~~)
(not drawn) are perpendicular to it. The scalar products in (218.9)
can then be read directly from the figure:
(u~l) u~~ = cos 8; (U~l). u~~ = 0; (218.13a)
(U~2). u~~ = 0; (U~2). u~~ = 1. (218.13 b)
Jr'
"
Fig. 75. Compton effect. Definition of polarization vectors in the initial state (k)
and final state (k') ofthe photon. Vectors U~l) and u~V in the k, k' plane, vectors U~2)
and u~~) (not drawn) perpendicular to it
These relations show that there can only be transitions with both
polarization vectors, before and after the collision, lying in the k, k'
plane, or with both perpendicular to it. In the first case the transition
probability becomes proportional to cos 2 8, in the second case it is
independent of the scattering angle. If the incident light is unpolarized
we have to average over A. and to sum up over the final states A.' thus
getting
~)ui;') . Ui~'2 = t (1 + cos 2 8). (218.14)
;.'
dE {I
dk; =lie 1 +;(k'-kcos8) ; }
therefore,
.y k,2
Pf=-3- dO', (218.18)
8n lie 1+.!..(k'-kcos8)
x
and the differential scattering cross section, according to (218.10),
(218.9), (218.14) and (218.18) becomes
(218.19)
The second-order contribution from W', Eq. (218.2) vanishes for q=O. In
the relativistic treatment, the Dirac expression (199.1) for the current density is
generally used which only in second order can originate Compton transitions. The
expression, however, may be split up according to Problem 199, so that the
relativistic treatment may be performed in complete analogy to the unrelativistic
method of the present Problem.
(218.21)
Problem 219. Bremsstrahlung 249
(218.22)
NB 1. The second-order contribution from W', Eq. (218.2) vanishes for q=O.
In the relativistic treatment, usually the current density expression (199.1) is used,
which can only in second order originate Compton transitions. If this expression
is split up according to Problem 199, we may formulate the relativistic treatment
in complete analogy to the unrelativistic one of the present problem.
NB 2. At higher photon energies the electron field has to be treated by the
Dirac theory. The result then is the Klein-Nishina formula instead of (218.21). That
our approximation can be used in rather a wide domain of energies may be seen
from the following figures. For k/'H.=0.2, Eq. (218.21) gives 0"/0"0=0.714 whereas the
rigorous Klein-Nishina formula leads to 0.737. At k/'H.=1 the two values are
0"/0"0=0.333 from (218.21) and 0.431 (Kl.-N.). The real values of cross sections
decrease much more slowly with increasing energy than those of our approxima-
tion, e.g. at k/'H.= 1000 we find 0"/0"0=0.0050 instead ofthe exact value 0.0215.
a) b)
the Coulomb interaction of the nucleus (charge Ze) and electron (charge
f
density p= -et/ltt/l), and
H2 = -1 d 3 x (A-j); eh
j= - -.(t/ltVt/l-Vt/lt.t/I), (219.3)
c 2ml
the radiation interaction. The field operators are
A = L..
'"
",).
V
2nhc ,,().)(b eil<r +bt e- i "')
k "Y " k ) . k).
(219.4)
and
'" q.c.e"lv
Vt/l = -i- L.. . r. (219.5)
V?
Putting (219.4) and (219.5) in (219.2) and (219.3) and performing the
space integrations, we arrive at
Ze 2 t 4n
H---"'cc---::-
1 - .J/' L.. P'I _ 12
(219.6)
, P' qp q.
Problem 219. Bremsstrahlung 251
V
and
__ .!.!!...-
Hz -
~ ~
2mc L... L...
21thC . t t
k"ll II,,;. (q"+qv)c"cv{bl<).l5"."... -"v+ bl<).l5"."v-,,J
".;' ",V (219.7)
For graph a in Fig. 76, we have to look up the factors of c"ct in HI
and of c". ct, bL in Hz to obtain the matrix elements
(219,8 a)
and
(219.8b)
(219.1la)
and
(219.11 b)
hence
(219.14)
E
a
= h
2
q; = ~
2m
( '+ k)2 .
2m q ,
(219.15)
h2 q~ h2
Eb =- + hek = - {(q-kf+2xk}. (219.16)
2m 2m
(219.17)
To find the cross section, we must apply the Golden Rule and
therefore need the final state density Pf' This is a little difficult to de-
termine because, in consequence of non-conservation of momentum,
the two final particles are emitted in independent directions. For one
particle (1) we know that
d 3 PI "Y pi "Y
PI = h3 dEl = -;;-; h3 dD I .
The other particle (2), for which P2 must be a similar expression, is
bound to lie within an interval dE 2 whose width and position are
already determined by energy conservation when the interval for the
first particle is given. Hence,
Pf= PIP2 dE2
or, in our special case, if 1 is the unrelativistic electron (q') and 2 the
photon (k), so that
pi =
- mhq'; dE 2 =hedk,
VI
Problem 219. Bremsstrahlung 253
we have
mhq' , h2 k 2
PI = 8n 3 h 3 "I'dU . 8n 3 h3 e "I'dU,,hedk. (219.18)
giving the differential cross section of the electron being scattered into
dU' and the photon of polarization A. falling in the interval dk and
within the solid-angle element dU,,, we then find by inserting (219.17)
and (219.18):
e2 Z2e4 q' k
du = - ' - - ' - '
1 {U,cJ:q'
--
Uk).q }2
+- - dU ,
dUdk
he n 2 q Iq-q'-kI E-E
4 E.-Eb "
I a I (219.19)
There remains the problem of determining the photon energy
spectrum, whatever the directions of both particles or the polarization
of the photon emitted. This means integration over the directions
and summation over A.. The integration procedures in such problems
are often rather laborious. In the present case, however, they become
very simple, as shall now be shown.
q'(""; gJ'J
q . .".:-.-.-~
.".
For further evaluation of the cross section, we now make the tyi-
pically unrelativistic approximation to neglect the photon momentum
compared to that of the electron, since from (219.14) it may be con-
cluded that k ~ q and k ~ q' because x is large. This allows us to simplify
the energy denominators in (219.19). Making use of Eqs. (219.12),
(219.15) and (219.16), we get
h2
Ei-Ea = 2m(q2_ q,2_ 2 q'.k-k 2);
h2
Ei-Eb = -(-2xk+2qk-P).
2m
In both expressions the two last terms then may be neglected, and 2xk
replaced by q2_q'2 according to (219.14) so that
(219.20)
To perform summation over A we then square and add these two ex-
pressions.
Finally, the Rutherford denominator in (219.19) may be written in
the same approximation
(q_q'_k)4 ~ (q_q')4 = (q2+q'2_2qq' cos 9')2 . (219.22)
Assembling all these factors, it is seen at once that the angles 9 and cp'
occur in the sum of the squares of (219.21) only, so that integration
over these angles can be performed separately in these terms by a
straightforward elementary calculation:
2"
(219.23)
o
Problem 219. Bremsstrahlung 255
e2
du(k)=Z2 ( -
lie
)3 . -16 -q' -dk
3 q k
Jq2+q'2_2qq'cos9'
+1
d cos 9'
-1
where du(k) stands for the partial cross section of a photon created
in the energy interval dk, whatever else may have happened. The in-
tegral permits elementary evaluation,
J
+1
d cos 9' 1 q+q'
--=---=------ = - log - -
q2 +q,2_2qq' cos 9' qq' q_q"
-1
16 2(e
du(k)=-Z -
2 )3 (1- l o g
q+q')
--- dk. (219.24)
3 lie q2 q-q' k
Coordinate systems
shall be the azimuth angle about the z axis. There are two customary
choices then of the coordinates ~,,,, qJ.
First system. x = Vfr7 cos qJ; y= Vfr7 sin qJ; z=t(~-,,);
r=t(~+,,); ~=r+z; ,,=r-z; p=V"fr1;
{a (au) a(au) ~ +" a2u}
vu=~+" a~ ~ a~ +a" "a" +4~" aqJ2 .
2 4
r function
(3)
This function is meromorphic and has poles along the negative real
axis at z= -n (n=O, 1,2, ... ) with residues (-I)njn!.
Special values.
r(1)=O!= 1; r(n)=(n-l)!; (6)
r(t)=Vn; F(!)=(W=tVn; (7)
3 1 (2n+l)!1J:"
r(n+!)=(n+z)! = 22n + 1 n! V n. (8)
~=r(x) n
co {
1 +~
2 }-t (11 b)
n=O (x+n)
and
,,=Y{-C+ f (~-
n=1n
~tan-1
Y
y)}
x+n-l
(11 e)
260 Mathematical Appendix
with
+
00
e =1r(I+iyW =~.
2
smh1ty
(12)
Asymptotic behaviour. For Izl ~ 1 and largzl < 1t (i. e. excluding the
negative real axis with its poles) we may use Stirling's formula
0 1 0
1 1 0.925
2 2 1.920
3 6 5.836
4 24 23.506
5 120 118.01
Bessel functions
1
u" +-u'
Z
+ ( 1 -V2)
- u=O
Z2
(1)
is solved by
u = A J.(z) + B N.(z) (2)
or by
(3)
Bessel functions 261
The function J. is called Bessel function (in the proper sense), the
function N. Neumann function. If v is not an integer, the definition
1
N.(z) = -.-(cosnvJ.(z)-J_.(z (4)
SIDnv
may be used, otherwise (i.e. for v=n with n=O, 1, 2, ... ),
(5)
is no longer linearly independent of I n. The function Nn(z) still may
then be defined by its asymptotics (see below).
The Bessel function J. can be defined by its power series
J(z) = ( -
z)'
2
L00
n=O
(_1)n
n!r(v+n+1) 2
-
(z)2n
'
(6)
converging in the whole z plane cut along the negative real axis, since
z = 0 is a branch point.
The functions H!l) and H~2) are called Hankel functions of the first
and second kind. They are defined by
H~I)(Z) = J.(z) + i N.(z); H!2)(Z) = J.(z) - i N.(z). (7)
The fundamental system (2) of solutions has real values for real z; its
Wronskian is 2/(nz). The Wronskian of (3) is -4i/(nz). If v is not
integer, J. and J _. form a third fundamental system of solutions with
the Wronskian -2sinnv/(nz).
Recurrence relations. For each one of the four types of functions
defined by (2) and (3) there hold the relations,
2v
U.-I +u.+ I = - u.; U.-I -U.+ I =2u~ (8a)
z
or
v 2v
u.+ I = - u.-u~; U.+ I = - U.-U.-I (8 b)
Z z
Asymptotic behaviour. With the abbreviation
n I
'=z - -(v+ z ) (9 a)
2
for Izl ~ 1 + Ivl and largzl < n, i. e. for large values of Izl in the z plane
cut along the negative real axis, there hold the asymptotic formulae
Functions of the type z-t H!l,2)(Z) for real z describe outgoing and
incoming spherical waves, respectively.
Modified Bessel functions. The functions
I.(x) = i-' J.(i x) (10)
and
(11 a)
Vh
K.(x)-+lfne-x. (12)
More formulae for Ko and Kl are given in Problem 185. - In Problem 99 the
differential equation
u"_g2 x -n u =O (13 a)
has been solved by
Ai(x) = ~ 1V"3
1t
~Kl.(j xt)
3
(14a)
1 In the literature the functions here denoted by j, etc are often denoted by], etc
1 1
with j, = - j" This has the advantage that hjl,21(z) = - hjl,21(z) then become
z z
outgoing and incoming spherical waves.
Bessel functions 263
(15)
n,(z) -
_l~ _ -1)I+ll~
V2 N,+(z)-( V2 L(l+)(z),. (16)
(18)
The first of these relations may also be used for constructing functions
with negative l.
The spherical Bessel functions are elementary functions. The simplest
of them are assembled in the following survey.
jo = sinz; no= - cosz;
smz cosz .
jl = -- - cosz; n 1 = - - - - sm z;
z z
and
hb2 ) = ie- iz ;
h~2) = (~ - 1) e- iz ;
h~2) = (:: - ~ - i) e- iz
Legendre functions
1-Z)
uv =A2F1 ( -v, v+1, 1; -2-
P'(cos8) = ~ n
- - y/ o.
2/+ 1 .
(3)
( 8)'
(l+n)!. 8
Il(cos8)=2Fl 1+1, -1,1; sin 2 2" = "~o{-lt n!2(l_n)!sm 2"2"
with an error of the order of 1/12. The zeros of Il are still given rather
accurately even up to large angles 8. For the example 1= 10 the ap-
proximation has been represented in Fig. 55 (p. 275 of vol. I).
For geometrical relations, cf. spherical harmonics.
Legendre functions of the first kind. Expansions. If v is not an integer,
the expansion (10) is no longer finite so that P,,{x) becomes a transcen-
266 Mathematical Appendix
_ sinnv ~ (-I)n(2n+l)
P,,(x) - - - L. P,,(x). (12)
n n;O (v-n)(v+n+ 1)
with coefficients
+1
fn=t Jdxf(x)P,,(x) (13 b)
-1
e'XY = - (14)
Y /;0
The series (14) and (15) are generally used with y=kr and x=cos.9 so
.9
that yV2(I-x)=2kr sin -. They hold for all real values of y. Another
2
important example may even be used to define the Legendre polynomials:
1 00
- = (16a)
z-x n;O
1
Qn(z) = -2
J
+1
dxP,,(x)
z-x
. (16b)
-1
Spherical harmonics 267
The functions Qn(z) are called Legendre functions of the second kind.
From the symmetry of (16a) in z and x, it follows at once that they
satisfy the differential equation (1) of the polynomials P,,(x). They have,
however, branch points at z = 1 with logarithmic singularities. The
simplest of these functions are
1 z+ 1
Qo(z) = 2 log z -1; Ql (z) = P1 (z}Qo(z) -1;
(17)
3
Q2(Z) = P2(z)Qo(z) - 2z.
The higher Qn's may be determined from the recurrence relation (7)
which holds for the Q's as well as for the P's. Their general form is
Spherical harmonics
with z the polar axis, the angular part of the solution satisfies the differ-
ential equation
-
1 0 (
-
ou)
sin.9- + -1- 02U
-- + 1(l+1)u=0 (2)
sin.9 0.9 0.9 2 sin .9 Ocp2 '
where the separation parameter 1 is integer, 1=0,1,2, ... By further
factorization,
u=e(.9)e im q> (3a)
with m=O, 1, 2, ... we get
- 1 - d( de) + [1(1+1) -
sin.9 d.9
sin.9-
d.9
2
-m-] e=o
sin 2 .9
(3b)
or, usmg
z
t = - = cos.9
r
268 Mathematical Appendix
as variable,
(1_t 2 )d 8 _ 2t d8
2
dt 2 dt
+ [1(1+1) - ~J8=O.
1-t 2
(3 c)
*
Legendre polynomial PI(t) into which it passes over for m=O, but it
remains of hypergeometric type for m O. Its only regular solution,
in arbitrary normalization, may be written
m d m P (t)
8 =(1_t 2 )2 _ _1- (3d)
I,m d~
for m~O, and 8 1. - m turns out to be the same function. Since the poly-
nomial PI cannot be differentiated more than I times without vanishing,
there exist 21+1 regular solutions with integer Iml~1 for every value
of I.
We still have a free hand concerning normalization. We adopt its
most customary form, which best reflects the geometrical meaning of
these solutions regular on the entire surface of the unit sphere,
1 .
YI,m (8,."
m) = -l~ &":'(8)
I
e,mrp (4)
V 2n
with
(5)
or
J"d8 sin 81&'i(8W= 1. (6)
o
Eq. (3 d) then has to be normalized according to
/1])m_
21+1 (I-m)! 2 ~ dmPI(t)
;71-
-2- (I+m)! (1-t) ~ (7)
9 1o = vr+I
I +-! PI and YIO ~1+1
, = --PI'
4n (9)
0
sln.,. eitpyI,m -_ al,m Y1+ l,m+ 1- al-l, -m-l y
I-l,m+.
1, (lOa)
sin 8 e- itp Yl,m = -ai, -m YI+ l,m-l +al-l,m-l YI-1,m-l; (1Ob)
cos 8 Yl,m = b"m YI+ l,m+bl-l,m YI-1,m (11)
with the abbreviations
r(:x :y)
i Yl,m = +Ial, m YI+ l,m 1+0+ l)al- 1 , +m-l YI-1,m1;
a (14)
r OZ YI,m= -lbl,mYI+l,m+(I+l)bl-l,mYI-l.m
Lz = -i(X :y -y :J (15)
The operators Lj here defined are identical with the angular momentum com-
ponent operators used in the text of this book, except for a factor Ii.
Orthogonality and expansion. The spherical harmonics satisfy the
orthonormality relations
(22)
They form a complete set of functions in the sense that any regular
function on the surface of the unit sphere may be expanded into a series
00 +1
I([}.,q = L L Il,m YI,m([}.,q (23 a)
1=0 m=-I
with coefficients
(23 b)
2. Plane wave. If the plane wave propagates along the polar axis,
only Legendre polynomials occur:
eikZ=eikrCOSfi.=~ f:V
4n(21+1)iljl(kr)YI. o(.9). (25)
kr 1=0
This formula has been proved in extenso in Problem 81. Incidentally,
it leads by inversion to an integral representation of the spherical
Bessel functions:
f
+1
If the plane wave runs in the direction of a vector k with polar angles
e, (/), the expansion may be generalized to
4n 00
eik r = - L ilNkr) Y~m(e,(/) Y I.m (.9,q (27)
kr 1=0
3. Spherical wave, to be used as Green's function of the wave
equation. If rand r' are vectors the directions of which are defined by
polar angles .9, q> and .9', q>', and y is the angle between them, then
1 +1
~l
L --
eiklr-r'l 00
1
Ir-r'l =
{ ~ f: (r')1
r
1
(~)I
1=0 r
PI(cosy) for r<r',
(29)
- L - 00
PI(cosy) for r>r'.
r 1=0 r
a(a+l)(a+2)b(b+l)(b+2) Z3
+ -+... (4a)
c(c+l)(c+2) 3!
or
F (a,b c z) - r(c) ~ r(a+n)r(b+n) l' (4 b)
2 1 " - r(a)r(b) n~o r(c+n)n! .
This function is invariant with respect to exchanging the parameters
a and b. If a = - n or b = - n (n = 0, 1,2, ...) it becomes a polynomial
of degree n, called a Jacobi polynomial according to the definition
J,.(p,q; z) = 2F1( -n,p+n,q; z).
These polynomials form an orthogonal set according to
1
fdzz Q- 1(I-z)p-QJ",J,.=0 for m#n.
o
The hypergeometric series does not exist for c= -n; in that c,ase
however the limiting process
. 2F1(a,b,c; z)
11m (5)
c-+-,. r(c)
and
(7)
r(c)r(a-b) -b (
+ r(a)r(c-b)(-z) 2Fl b,b-c+1,b-a+1;-; .
1)
The last formula determines the asymptotic behaviour of 2Fl for Z-+OO:
( b ) r(c)r(b-a) - r(c)r(a-b) -b
2Fl a, ,c;z -+ r(b)r(c-a) (-z) a + r(a)r(c-b)(-z). (8)
Only for integer c =0, 1, 2, ... the two special solutions used in
(9) become identical, as is easily seen by applying Eq. (5). The second
solution then has a logarithmic singularity at z = o.
In the following, the most important formulae for the practical use
of the hypergeometric series have been collected.
a(c-b) b(c-a)
2Fl (a,b,c; z) = - c ( 2Fl (a+ 1,b, c+ 1; z) + -c(--2Fl (a,b+ 1,c+ 1; z)
a-b) b-a)
c-a a
= --2Fl(a,b,c+ l;z) + - 2Fl(a+ 1,b,c+ l;z),
c c
274 Mathematical Appendix
c-l
z 2Fl(a,b,c;z) = - - [2Fl(a-1,b,c -1; z) - 2Fl (a,b -1,c-1; z)]
a-b
c-l
= - [2Fl(a-l,b,c-l; z)- 2Fl(a-l,b-l,c-l; z)]
a-I
c-a c-b
= --b 2Fl(a-l,b,c;z) + - - 2Fl (a,b-l,c; z) + 2Fl(a,b,c; z),
a- b-a
c-l a-c
(l-z)2Fl(a,b,c;z) = --2Fl(a-l,b-l,c-l; z) + - - 2Fl(a-l,b,c; z).
a-I a-I
Derivatives:
d ab
- 2Fl(a,b,c;z) = - 2Fl(a+ l,b+ l,c+ 1; z),
dz c
d a(c-a) b(c-b)
z(l- z)- 2Fl(a,b,c; z) = - - 2Fl(a-l,b,c; z) + --2Fl(a,b-1,c; z)
dz a-b b-a
b(c-b)-a(c-a)
+ 2Fl(a,b,c;z).
a-b
"~O
-.
r(c+n) n!
(3b)
The confluent series 275
This formula does not hold for a= -n, n=0,1,2, ... where, according
to (3), the function 1 Fl ( - n, c; z) becomes a polynomial of degree n. Of
special interest among these are the Laguerre polynomials
(n+m)!
L(m)(z)
n
= I I 1F:(-nm+1z)
1 , , (6)
n.m.
d
z-lFl(a,c;z) = a{l Fl(a+1,c;z)-l Fl(a,c;z)};
dz
d a
- l Fl(a,c;z)=-l Fl(a+1,c+1;z).
dz c
276 Mathematical Appendix
J
erfcz = dte- t1 ;
%
of= -
-
op
f
00
1 .3c
dtt 2 e- Ilt 2 =--p-:terfc(Vpz)
2
llii z e- Il :z 2
__
2P
z
f
00
2 1 z 2
dtt 2 e- t = -erfcz + -e- z
2 2
z
may be finally reduced to the error function. For z=O, this leads to
the special formula for the complete integrals,
Jdtt 2n e- r2 =!r(n+!).
o
Exponential integral. This function is defined by
z
-<Xl
E 1 (x)=-Ei(-x) = J tdt e- r
x
J +
<Xl
E 1 (x)= e- X
x
(1_!'!'+
x x
2! _ ... ).
2
Hard sphere, scattering 84,109 Image force, effect upon field emission
Harmonic oscillator in Hilbert-space 170
31,33 Index of refraction for light waves
- - in matrix notation 33 187
- - in momentum space 34 - - - for particle waves 45, 115
- -,SchrOdingertheory 30 Induced dipole moment 187
- -, table of lowest eigenfunctions Inelastic scattering 166
30 Infinitesimal rotation 47
- -, WKB approximation 118 Inhomogeneous differential equation
- vibrations of a linear molecule 94
149 Integral equation for momentum-space
Heisenberg representation 10 wave function 14, 77
Heisenberg's uncertainty rule 17,40 - - for radial part of wave function
Heitler-London approximation 163 94
Helicity 137 Intensities of spectral lines 213, 217
-, expectation value 196,208 Intermolecular potentials 104
- of neutrino 200 Intrinsic magnetic moment of electron
- operator in Dirac theory 190 136,138
- in one-dimensional Dirac problems Ionization energies of helium and
197 two-electron ions 154, 155
- of a plane Dirac wave 190, 195 Ionization in stellar matter 171
- of a plane Dirac wave. states of irreducible representation of a matrix
mixed helicity 195, 196 system Ill')
Helium, excited states 155, 156 Isotope shift in electron binding 73
-, ground state 154
Hermite polynomials 30, 32, A Kepler problem in momentum space
Hermitian conjugate 6, 31 78
- operator 6, 7, 59 - -, relativistic radial solutions at
High-energy scattering 104 positive energies 204
Hilbert space 6, 10, 12, 31, 33, 50 - -, - theory for bound states 202
- -, its construction for angular - -, unrelativistic radial solutions at
momentum 56 positive energies 111
- -, its construction for an - -, - theory for bound states 67
harmonic oscillator 31 - -, WKB approximation 120
- - of spin operators 129, 139 Kernel, symmetrization 94
Homogeneous electrical field, motion Kinetic energy density 5
of electrons 41 - - operator 13, 46, 49
Hulthen potential 68 Klein-Gordon equation 189
Hydrogen atom 67 Klein-Nishina formula 218
- -, lifetimes of excited states 215 Klein's paradox 202,207
- -, relativistic theory 202, 203 Kratzer's molecular potential 69
- -, spectral line intensities 217 K shell binding energies 154
- - as a two-body problem 150 - - screening constants 178
Hydrogen eigenfunctions (table) 67 Kummer's differential equation see
- - in momentum space 78 confluent series
Hydrogen molecule, ionized 44
- -, neutral, ground state 163 Laguerre polynomials A
- -, scattering of slow neutrons Lande factor 135
147 Larmor frequency 138
Hydrogen star 171 Legendre functions and polynomials
Hypergeometric series 37,38,39,46, A
64,68,207 Lennard-Jones potential 104
- -, formulae A Level density 26
Index 283