Vectors, Matrix Transormations, Dirac Notation

Matrix Representation
Matrix Rep Same basics as introduced already Matrix Rep. Same basics as introduced already.
Convenient method of working with vectors.
Superposition Complete set of vectors can be used to
express any other vector.
Complete set of N vectors can form other complete sets of N vectors.
Can find set of vectors for Hermitian operator satisfying Can find set of vectors for Hermitian operator satisfying
Eigenvectors and eigenvalues
. A u u o =
Matrix method Find superposition of basis states that are
eigenstates of particular operator. Get eigenvalues.
Copyright Michael D. Fayer, 2009
Orthonormal basis set in N dimensional vector space
{ }
j
{ }
j
e basis vectors
Any N dimensional vector can be written as
1
N
j
j
j
x x e
=
=

j
j
x e x =
with
To get this, project out
j j
from
piece of that is ,
j j
j j j j
j
j
e e x
x e e e x x e =
then sum over all .
j
e
Operator equation
y A x = y A x =
1 1
N N
j j
j j
j j
y e A x e
= =
=

Substituting the series in terms of bases vectors.
1
N
j
j
j
x A e
=
=

i
e
N
i j
Left mult. by
1
i j
i j
j
y e A e x
=
=

Th N
2
l d
i j
e A e
The N
2
scalar products
l t l d t i d b
N values of j ; N for each y
i
{ }
and the basis set .
j
A e
are completely determined by
{ }
j
e
Writing
i j
ij
a e A e =
Matrix elements of A in the basis
N
i ij j
y a x =
1 2 , , j N =
gives for the linear transformation
1
i ij j
j
y
=
1 2 , , j N
Know the a
ij
because we know A and
{ }
j
e
In terms of the vector representatives In terms of the vector representatives
1
2
x
x
x
(
(
(
=
1
2
y
y
y
(
(
(
=

7 5 4
7
Q x y z = + +
(
(
vector
vector representative
N
x
x
(
=
(
(

N
y
y
(
=
(
(

5
4
(
(
(

vector representative,
must know basis
The set of N linear algebraic equations can be written as
(Set of numbers, gives you vector
when basis is known.)
y Ax =
g q
double underline means matrix
A
11 12 1N
a a a
(
(
array of coefficients - matrix

( )
21 22 2N
ij
a a a
A a
a a a
(
(
= =
(
(

The a
ij
are the elements of the matrix .
A
1 2 N N NN
a a a

y Ax =
1 11 12 1 1
N
y a a a x
( ( (
( ( (
vector representatives in particular basis
2 21 22 2
1 2

N N N NN N
y a a x
y a a a x
( ( (
( ( (
=
( ( (
( ( (

A
The product of matrix and vector representative x
is a new vector representative y with components
1 2 N N N NN N
p y p
1
N
i ij j
j
y a x
=
=

Matrix Properties, Definitions, and Rules
A B Two matrices, and are equal
A B =
q
if a
ij
= b
ij
.
1 0 0
(
(
The unit matrix

The zero matrix
0 1 0
1
0 0 1
ij
o
(
(
= =
(
(

ones down
principal diagonal
0 0 0
0 0 0
0
(
(
(
=
(

0 0 1

N
Gives identity transformation
0 0 0
(
(

0 0
1
N
i ij j i
j
y x x o
=
= =
Corresponds to
0 0 x =
1 y x x = =
Matrix multiplication
Consider
y A x = z B y = operator equations
z B A x =
Using the same basis for both transformations
1
N
k ki i
i
z b y
=
=

z B y = matrix ( )
ki
B b = =
z By B Ax Cx = = =
C B A =
N
c b a
has elements
Example
2 3 7 5 29 28
| || | | |
1
kj ki ij
i
c b a
=
=

Law of matrix multiplication
2 3 7 5 29 28
3 4 5 6 41 39
| || | | |
=
| | |
\ .\ . \ .
Multiplication Associative
( ) ( )
B A C A BC =
( ) ( )
B A C A BC =
Multiplication NOT Commutative
B A BA =
Matrix addition and multiplication by complex number
A B C o | + =
c a b o | = +
ij ij ij
c a b o | = +
A
1
A
1 1
1 AA A A

A
Inverse of a matrix
i f
identity matrix
1
A
1 AA A A = =
A inverse of
identity matrix
CT
1
A
A
A
=
transpose of cofactor matrix (matrix of signed minors)
determinant
0 If 0 is singular
A
A A A = =
determinant
Reciprocal of Product
( )
1
1 1
AB B A

=
( )
ij
A a =
For matrix defined as
( )
ji
A a =
interchange rows and columns

Transpose
( )
*
*
A
Complex Conjugate
l j t f h l t ( )
ij
A a =
complex conjugate of each element
( )
*
ji
A a
+
=
Hermitian Conjugate
complex conjugate transpose
Rules
( )
AB B A =

transpose of product is product of transposes in reverse order
( )
AB B A =
transpose of product is product of transposes in reverse order
| | | | A A =
determinant of transpose is determinant

* *
*
( ) AB A B =
complex conjugate of product is product of complex conjugates
*
*
| | | | A A =
determinant of complex conjugate is
complex conjugate of determinant
( ) AB B A
+ +
+
= Hermitian conjugate of product is product of
Hermitian conjugates in reverse order
*
| | | | A A
+
=
determinant of Hermitian conjugate is complex conjugate
of determinant
Definitions
A A =

Symmetric
A A
+
=
Hermitian
*
A A =
*
A A =
Real
Imaginary
A A =
1
A A
+
=
Imaginary
Unitary
ij ij ij
a a o =
Diagonal
0 1 2
1 A A A A AA = = =
2
Powers of a matrix
2
1
2!
A
A
e A = + + +
1
x
(
(
Column vector representative one column matrix
2
N
x
x
x
(
(
=
(
(

vector representatives in particular basis

N
y Ax =
( ( (
then
becomes
1 11 12 1 1
2 21 22 2

N
y a a a x
y a a x
( ( (
( ( (
( ( (
=
( ( (
( ( (
1 2

N N N NN N
y a a a x
( ( (

row vector transpose of column vector
( )
1 2
,
N
x x x x =

y Ax =
y xA =

p
transpose
y
y Ax =
y x A
+
+ +
=
p
Hermitian conjugate
Change of Basis
orthonormal basis
{ }
i
e
then
( )
, 1, 2,
i j
ij
e e i j N o = =
{ } { }
i
e
{ }
i
e
'
Superposition of can form N new vectors
linearly independent
a new basis
{ }
e
1, 2,
N
i k
ik
e u e i N
'
= =

a new basis
1 k=
complex numbers
j i
ij
e e o
' '
=
New Basis is Orthonormal
ij
e e o
if the matrix
( )
ik
U u =
( )
ik
U u
coefficients in superposition
1, 2,
N
i k
ik
e u e i N
'
= =

1 U U
+
=
1
, ,
ik
k=
meets the condition

1
U U
+
=
is unitary U
{ }
i
e
'
Important result. The new basis will be orthonormal
{ }
U
1 UU U U
+ +
= =
if , the transformation matrix, is unitary (see book
and Errata and Addenda ).
{ }
e
'
{ }
e
Unitary transformation
substitutes orthonormal basis for orthonormal basis .
x
i
i
x x e =

Vector
vector line in space (may be high dimensionality
i
i
i
i
x x e
'
'
=

vector line in space (may be high dimensionality
abstract space)
written in terms of two basis sets
x Same vector different basis.
U
x
The unitary transformation can be used to change a vector representative
of in one orthonormal basis set to its vector representative in another
orthonormal basis set.
'
orthonormal basis set.
x vector rep. in unprimed basis
x' vector rep. in primed basis
x U x
'
=
x U x
+
'
=
change from unprimed to primed basis
change from primed to unprimed basis
{ }

, , x y z
Example
Consider basis
y
|s
z
|s
x
z
s Vector - line in real space.

7 7 1 s x y z = + +
{ }

x y z
In terms of basis
Vector representative in basis { }
, , x y z
7
7 s
(
(
=
(
Vector representative in basis
7
1
s
(
(

Change basis by rotating axis system 45 around .
z
s Can find the new representative of , s'
s U s
'
=
p ,
cos sin 0
x y z
u u
| |
U is rotation matrix
cos sin 0
sin cos 0
0 0 1
U
u u
u u
| |
|
=
|
|
\ .
For 45 rotation around z
2 / 2 2 / 2 0
2 / 2 2 / 2 0 U
| |
|
= |
|
|
0 0 1
|
|
\ .
2 / 2 2 / 2 0
7 7 2
| |
| |
| |
Then
2 / 2 2 / 2 0
7 7 2
2 / 2 2 / 2 0 7 0
0 0 1 1 1
s
| |
| |
| |
|
|
|
'
= = |
|
|
|
|
|
|
\ .
\ .
\ .
\ .
\ .
7 2
0 s
(
(
'
=
(
vector representative of in basis s
{ }
e
'
0
1
s =
(
(

p { }
Same vector but in new basis Same vector but in new basis.
Properties unchanged.
( )
1/ 2
s s
Example length of vector
( )
1/ 2
1/ 2 1/ 2 1/ 2
*
( ) (49 49 1) (99) s s s s ( = = + + =

p g
1/ 2
1/ 2 1/ 2 1/ 2
*
( ) (2 49 0 1) (99) s s s s
' ' ( = = + + =

Can go back and forth between representatives of a vector by x g p y
change from unprimed
to primed basis
change from primed
to unprimed basis
x U x
'
=
x U x
+
'
=
to primed basis
p
x components of in different basis
y A x =
Consider the linear transformation
operator equation
y Ax =
{ }
e In the basis can write
i ij j
j
y a x =

or
j
{ }
e
'
U
+
' '
Change to new orthonormal basis using
y U y U Ax U AU x
+
' '
= = =
y Ax
'
' '
=
or
y Ax
A U AU
+
'
=
A
' with the matrix given by
U
1
A U AU
'
=
Because is unitary
Extremely Important
1
A U AU
'
=
Can change the matrix representing an operator in one orthonormal basis
into the equivalent matrix in a different orthonormal basis.
Called
Similarity Transformation
y Ax AB C A B C = = + =
In basis
{ }
e
Go into basis
{ }
e
'
y A x A B C A B C
' ' ' ' ' ' '
' '
= = + =
{ }
Relations unchanged by change of basis.
AB C =
Example
U ABU UCU
+ +
=
U U
+
AB Can insert between because
1
1 U U U U
+
= =
U AU U BU UCU
+ + +
=
Therefore
A B C
' ' '
=
Therefore
Isomorphism between operators in abstract vector space
d t i t ti and matrix representatives.
Because of isomorphism not necessary to distinguish Because of isomorphism not necessary to distinguish
abstract vectors and operators
fromtheir matrix representatives from their matrix representatives.
The matrices (for operators) and the representatives (for vectors) The matrices (for operators) and the representatives (for vectors)
can be used in place of the real things.
Hermitian Operators and Matrices
Hermitian operator Hermitian operator
x A y y A x =
Hermitian operator Hermitian Matrix
A A
+
= A A =
+ - complex conjugate transpose - Hermitian conjugate
Theorem (Proof: Powell and Craseman, P. 303 307, or linear algebra book)
For a Hermitian operator A in a linear vector space of N dimensions
1 2 N
U U U
For a Hermitian operator A in a linear vector space of N dimensions,
there exists an orthonormal basis,
, U U U
0 0 o
| |
relative to which A is represented by a diagonal matrix

1
2
0 0
0 0
0
A
o
o
| |
|
|
'
=
|
|
.
0
N
o
|
\ .

The vectors, , and the corresponding real numbers, o
i
, are the
i
U
A U U o =
solutions of the Eigenvalue Equation
and there are no others.
Application of Theorem
Operator A represented by matrix A Operator A represented by matrix
in some basis . The basis is any convenient basis.
In general, the matrix will not be diagonal.
A
{ }
i
e
g , g
There exists some new basis eigenvectors
{ }
i
U
{ }
U
in which represents operator and is diagonal eigenvalues.
A
'
To get from to
unitary transformation.
{ }
i
e
{ }
i
U
y
{ } { }
.
i i
U U e =
1
A U AU
'
=
Similarity transformation takes matrix in arbitrary basis
into diagonal matrix with eigenvalues on the diagonal.
Matrices and Q.M.
Previously represented state of system by vector in abstract vector space.
Dynamical variables represented by linear operators.
O t d li t f ti
A
Operators produce linear transformations.
Real dynamical variables (observables) are represented by Hermitian operators.
y A x =
Observables are eigenvalues of Hermitian operators.
Solution of eigenvalue problemgives eigenvalues and eigenvectors.
A S S o =
Solution of eigenvalue problem gives eigenvalues and eigenvectors.
Matrix Representation
Hermitian operators replaced by Hermitian matrix representations. Hermitian operators replaced by Hermitian matrix representations.
In proper basis, is the diagonalized Hermitian matrix and
A A
A
'
p p , g
the diagonal matrix elements are the eigenvalues (observables).
A suitable transformation takes (arbitrary basis) into
1
U AU
A
A
'
(diagonal eigenvector basis)
A
'
1
. A U AU
'
=
Diagonalization of matrix gives eigenvalues and eigenvectors.
U
takes arbitrary basis into eigenvectors.
Matrix formulation is another way of dealing with operators
and solving eigenvalue problems.
All rules about kets, operators, etc. still apply.
Example p
Two Hermitian matrices
can be simultaneously diagonalized by the same unitary
and A B
transformation if and only if they commute.
All ideas about matrices also true for infinite dimensional matrices.
Example Harmonic Oscillator
Have already solved use occupation number representation kets and bras Have already solved use occupation number representation kets and bras
(already diagonal).
( )
2 2
1
H P x = +
( )
1
aa a a
+ +
= +
( )
2
H P x +
( )
2
1 a n n n =
1 1 a n n n
+
= + +
t i l t f
0 1 2 3
0
0 1 0 0 0
| |

|
|
0 0 0
0 1 1
a
a
=
=
matrix elements of a
1
2
3
0 0 2 0 0
0 0 0 3 0
0 0 0 0 4
|
|
|
|
|
0 1 1
0 2 0
a
a
=
=
a
=
0 0 0 0 4
|
|
|

|
|
1 0 0
1 1 0
1 2 2
a
a
a
=
=
=

|

|
|
\ .
1 2 2
1 3 0
a
a
=
=

0 0 0 0
1 0 0 0
| |

|

|
0 2 0 0
0 0 3 0
a
+
|
|

|
=

|
|
( )
1
2
H aa a a
+ +
= +
0 0 0
4
|
|

|

\ .
0 1 0 0
0 0 2 0
| |

|
0 0 0 0
1 0 0 0
| |

|

|
1 0 0 0
| |
|
0 0 2 0
0 0 0 3
4
0 0 0 0
aa
+
|
|

|
=
|
|
1 0 0 0
0 2 0 0
0 0 3 0
|
|

|

|
|
0 2 0 0
0 0 3 0
0 0 0 4
|
|
| =
|
|
|
|
|

\ .
0 0 0
4
|
|

|

\ .
|
|

\ .
( )
1
2
H aa a a
+ +
= +
0 0 0 0
1 0 0 0
| |

|

|
|
0 1 0 0
0 0 2 0
| |

|
|
0 0 0 0
0 1 0 0
| |
|
|
0 2 0 0
0 0 3 0
a a
+
|

|
=

|
|
|
0 0 0 3
4
0 0 0 0
|
|
|
|
0 1 0 0
0 0 2 0
0 0 0 3
|
| =
|
|
|
\ . 0 0
0 4
|

|

\ .
|
|

\ .
|

\ .
aa
+
a a
+
H Adding the matrices and and multiplying by gives
1 0 0 0 1 2 0 0 0
0 3 0 0 0 3 2 0 0
1

| | | |
| |

| |
1
0 0 5 0 0 0 5 2 0
2
0 0 0 7 0 0 0 7 2
H
| |
| | = =
| |

| |
| |
\ . \ .
| |

\ . \ .
The matrix is diagonal with eigenvalues on diagonal In normal units The matrix is diagonal with eigenvalues on diagonal. In normal units
the matrix would be multiplied by . e
Thi l h id b h di li i h This example shows idea, but not how to diagonalize matrix when you
dont already know the eigenvectors.
Diagonalization
Eigenvalue equation
eigenvalue
g q
u Au o =
g
0 u Au o =
matrix representing
operator
representative of
eigenvector
In terms of the components
( ) ( )
1
0 1, 2
N
ij ij j
j
a u i N o o
=
= =

In terms of the components
1 j =
( )
0 + + +
This represents a system of equations
We know the a
ij
.
( )
( )
11 1 12 2 13 3
21 1 22 2 23 3
0
0
a u a u a u
a u a u a u
o
o
+ + + =
+ + + =
j
We don't know
o - the eigenvalues
u the vector representatives
( )
31 1 32 2 33 3
0 a u a u a u o + + + =
u
i
- the vector representatives,
one for each eigenvalue.
Besides the trivial solution
1 2
0
N
u u u = = =
( )
11 12 13
a a a o
A solution only exists if the determinant of the coefficients of the u
i
vanishes.
( )
( )
( )
11 12 13
21 22 23
31 32 33
0
a a a
a a a
a a a
o
o
o

=
know a
ij
, don't know o's

Expanding the determinant gives N
th
degree equation for the
the unknown o's (eigenvalues).
Then substituting one eigenvalue at a time into system of equations,
the u
i
(eigenvector representatives) are found.
N equations for u's gives only N - 1 conditions.
* * *
1 1 2 2
1
N N
u u u u u u + + + =
Use normalization.
Example - Degenerate Two State Problem
Basis - time independent kets orthonormal.
o |
p
|
0
H E o o | = +
o and | not eigenkets.
0
H E | | o = +
| g
Coupling .
These equations define H. q
0
H E o o =
The matrix elements are
And the Hamiltonian matrix is
0
H E
H
H
o o
| o
o |
=
=
0
E
H
o |
o
| |
|
0
H E | | =
0
H
E |
=
|
\ .
0
( ) 0 E o | + =
The corresponding system of equations is
These only have a solution if
0
0
( )
( ) 0 E
|
o | + =
These only have a solution if
the determinant of the coefficients vanish.
| |
M k i t d t i t
0
0
0
E
E

0
0
E
E
| |
|
\ .
Take the
matrix
Make into determinant.
Subtract from the diagonal
elements.
2
Dimer Splitting
( )
2
2
0 E
Expanding
E
0
Excited State
( )
2
0
0 E =
2 2 2
0 0
2 0 E E + =
0
E
+
= +
Energy Eigenvalues
Ground State
E = 0
0
E
=
To obtain Eigenvectors
Use system of equations for each eigenvalue.
a b
a b
o |
o |
+ +

+ = +
= +
Eigenvectors associated with
+
and
-
.
|
+
| |
, a b
+ + | |
, a b

and are the vector representatives of and
in the
, basis set. o |
We want to find these.
0
E
+
= +
First, for the
eigenvalue
write system of equations.
11 12
( ) 0 H a H b
+ + +
+ =
( ) 0 H H b
y q
21 22
( ) 0 H a H b
+ + +
+ =
H
11 12 21 22
; ; ; H H H H H H H H
oo o| |o ||
= = = = Matrix elements of
0
H E o o =
The matrix elements are
0 0
0 ( ) E E a b
+ +
+ =
0 ( ) E E b +
0
H
H
H E
| o
o |
| |
=
=
0 0
0 ( ) a E E b
+ +
+ =
0 a b
+ +
+ =
The result is
0
H E | | =
0 a b
+ +
=
An equivalent way to get the equations is to use a matrix form.
0 E a
| || | | |
0
0
0
0
E a
E b

+ +
+ +
| || | | |
=
| | |
\ . \ . \ .
S b tit t E + Substitute
0
E
+
= +
0 0
0 E E a
+

| || | | |
=
| | |
0 0
0 E E b
+
=
| | |

\ . \ . \ .
0 a | | | | | |
0
0
a
b

+
+
| | | | | |
=
| | |
\ . \ . \ .
Multiplying the matrix by the column vector representative gives equations. Multiplying the matrix by the column vector representative gives equations.
0 a b
+ +
+ =
0 a b = 0 a b
+ +
=
0 a b
+ +
+ =
0 a b =
The two equations are identical.
0 a b
+ +
a b
+ +
=
Always get N 1 conditions for the N unknown components.
Normalization condition gives necessary additional equation.
2 2 2 2
1 a b
+ +
+ =
1
Then
1
2
a b
+ +
= =
and
1 1
2 2
o | + = +
Eigenvector in terms of the
basis set.
o |
For the eigenvalue
0
E
=
using the matrix formto write out the equations using the matrix form to write out the equations
0
0
0
0
E a
E b

| || | | |
=
| | |
\ . \ . \ . 0
\ . \ . \ .
Substituting
0
E
=
0 | | | | | |
0
0
a
b

| | | | | |
=
| | |
\ . \ . \ .
0 a b

+ =
0 a b

+ =
b Th i i a b

=
1 1
2 2
a b

= =
These equations give
Using normalization
1 1
2 2
o | = Therefore
1
H U HU
'
=
Can diagonalize by transformation
diagonal not diagonal
Transformation matrix consists of representatives of eigenvectors p g
in original basis.
1/ 2 1/ 2 a a
| |
| | 1/ 2 1/ 2
1/ 2 1/ 2
a a
U
b b
+
+
| |
| |
= =
|
|
|
\ .
\ .
1
1/ 2 1/ 2
1/ 2 1/ 2
U
| |
=
|
|
\ .
complex conjugate transpose
0
1/ 2 1/ 2 1/ 2 1/ 2 E
H

| | | |
| |
'
| |
|
Then
0
0 1/ 2 1/ 2 1/ 2 1/ 2
H
E
=
| |
|
| |
\ .
\ . \ .
1/ 2
Factoring out
0
0
1 1 1 1
1
2 1 1 1 1
E
H
E
| | | | | |
'
=
| | |

\ . \ . \ .
g
\ .
1 1
1
E E +
| | | |
'
after matrix multiplication
0 0
0 0
1 1
1
2 1 1
E E
H
E E

+
| | | |
'
=
| |
+ +
\ .\ .
more matrix multiplication
0
0
0
E
H
E
+
| |
'
=
|
\ .
more matrix multiplication
diagonal with eigenvalues on diagonal
0
0 E
|
\ .
g g g

Vectors, Matrix Transormations, Dirac Notation

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Vectors, Matrix Transormations, Dirac Notation

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Matrix Representation

array of coefficients - matrix

The unit matrix

interchange rows and columns

determinant of transpose is determinant

vector representatives in particular basis

meets the condition

relative to which A is represented by a diagonal matrix

Copyright Michael D. Fayer, 2009

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