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# Matrix Representation

Matrix Rep
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.

## Can find set of vectors for Hermitian operator satisfying

A u u .
Eigenvectors and eigenvalues

## 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

e
j
basis vectors

## Any N dimensional vector can be written as

N
x xj e j with xj e j x
j 1

## To get this, project out

e j e j from x
xj e j e j e j x piece of x that is e j ,
then sum over all e j .

## Copyright Michael D. Fayer, 2009

Operator equation

y A x
N N

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

N
xj A e j
j 1

Left mult. by e i
N
yi e i A e j x j
j 1

Th N2 scalar
The l products
d
ei A e j N values of j ; N for each yi

l t l determined
are completely d t i d by
b
A and the basis set e .
j

## Copyright Michael D. Fayer, 2009

Writing
aij e i A e j Matrix elements of A in the basis e j
gives for the linear transformation
N
yi aij x j j 1, 2, N
j 1

## Know the aij because we know A and e

j

In terms of the vector representatives
x1 y1 Q 7 x 5 y 4 z vector
x y 7
x 2 y 2 5 vector representative
representative,

must know basis
x
N yN 4

## (Set of numbers, gives you vector

when basis is known.)
The set of N linear algebraic
g equations
q can be written as
y Ax
double underline means matrix
A array of coefficients - matrix
a11 a12 a1 N
a a22 a2 N
A aij 21 The aij are the elements of the matrix A .

a N 1 aN 2 a NN

y Ax

## vector representatives in particular basis

y1 a11 a12 a1 N x1
y a a22 x
2 21 2

yN aN 1 aN 2 a NN xN

## The product of matrix A and vector representative x

is a new vector representative
p y with components
p
N
yi aij x j
j 1
Matrix Properties, Definitions, and Rules

q
A B
if aij = bij.

## The unit matrix

The zero matrix
1 0 0
0 1 0 ones down 0 0 0
1 ij 0 0 0
principal diagonal 0

0 0 1

0 0 0
Gives identity transformation
N 0x 0
yi ij x j xi
j 1

Corresponds to
y 1 x x
Matrix multiplication
Consider
y A x z B y operator equations

z BA x

## Using the same basis for both transformations

N
zk bki yi zBy B matrix (bki )
i 1

z By B A x Cx

C BA has elements
Example
N
ckj bki aij 2 3 7 5 29 28
i 1 3 4 5 6 41 39

Law of matrix multiplication
Multiplication Associative

A B C A B C
Multiplication NOT Commutative

AB B A

A B C

## cij aij bij

Inverse of a matrix A
1 1
i
inverse off A A
1
AA A A1 identity matrix

1 A
CT transpose of cofactor matrix (matrix of signed minors)
A
A determinant

A 0 If A 0 A is singular
Reciprocal of Product

A B B A
1 1 1

## For matrix defined as A (aij )

Transpose
A a ji interchange rows and columns

Complex Conjugate
*

A aij* complex
l conjugate
j t off each
h element
l t

Hermitian Conjugate

A a *ji complex conjugate transpose

Rules

## | A | | A | determinant of transpose is determinant

( A B )* A B
* *
complex conjugate of product is product of complex conjugates

| A | | A |*
*
determinant of complex conjugate is
complex conjugate of determinant

( A B ) 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
*
Real

A A
*
Imaginary

1
A A Unitary

## aij aij ij Diagonal

Powers of a matrix
A 1 A A A A A
0 1 2

2
A A
e 1 A
2!
Column vector representative one column matrix
x1
x
x 2

vector representatives in particular basis
xN
then y Ax
becomes
y1 a11 a12 a1 N x1
y a a22 x
2 21 2

yN aN 1 aN 2 a NN xN
row vector transpose
p of column vector
x x1 , x2 x N

y Ax y x A transpose
p

y Ax y x A Hermitian conjugate
Change of Basis
orthonormal basis
e i

then
e i e j ij i , j 1, 2, N

Superposition of
ei can form N new vectors
linearly independent
a new basis e i
N
e i
uik e k i 1, 2, N
k 1

complex numbers

## Copyright Michael D. Fayer, 2009

New Basis is Orthonormal

e j e i ij

if the matrix
U uik
coefficients in superposition
N
e i
uik e k i 1,, 2,, N
k 1
meets the condition

U U 1
1
U U U is unitary

## Important result. The new basis will be orthonormal

e i
if U , the transformation matrix, is unitary (see book
UU U U 1

## Copyright Michael D. Fayer, 2009

Unitary transformation
substitutes orthonormal basis e for orthonormal basis e .

Vector x

x xi e i
i vector line in space (may be high dimensionality
abstract space)
x xi e i written in terms of two basis sets
i

## The unitary transformation U can be used to change a vector representative

of x in one orthonormal basis set to its vector representative in another
orthonormal basis set.
x vector rep. in unprimed basis
x' vector rep. in primed basis
x U x change from unprimed to primed basis

x U x change from primed to unprimed basis
Example

Consider basis x , y , z
y

|s

z
x

## Vector s - line in real space.

In terms of basis s 7 x 7 y 1z

## Vector representative in basis x , y , z

7
s 7

1
Change basis by rotating axis system 45 around z .

## Can find the new representative

p of s , s'

s U s

U is rotation matrix

x y z
cos sin 0
U sin cos 0
0 1
0

## For 45 rotation around z

2/2 2 / 2 0

U 2 / 2 2 / 2 0
0 1
0

Then

2/2 2 / 2 0 7 7 2

s 2 / 2 2 / 2 0 7 0
0 1 1 1
0

7 2

s 0
vector representative
p of s in basis e
1

Same vector but in new basis.
basis
Properties unchanged.

1/ 2
Example
p length
g of vector ss
1/ 2
s s ( s* s )1/ 2 (49 49 1)1/ 2 (99)1/ 2
1/ 2
s s ( s* s )1/ 2 (2 49 0 1)1/ 2 (99)1/ 2
Can g
go back and forth between representatives
p of a vector x by
y

## change from unprimed change from primed

to primed basis to unprimed
p basis

x U x x U x

## Copyright Michael D. Fayer, 2009

Consider the linear transformation
y Ax operator equation

y Ax
or
yi aij x j
j

## Change to new orthonormal basis e using U

y U y U A x U AU x
or
y A x

## with the matrix A given by

A U AU

Because U is unitary
A U AU
1

## Copyright Michael D. Fayer, 2009

Extremely Important

A U AU
1

## Can change the matrix representing an operator in one orthonormal basis

into the equivalent matrix in a different orthonormal basis.

Called

Similarity Transformation

## Copyright Michael D. Fayer, 2009

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.

Example AB C

U A BU U C U
1
Can insert U U between A B because U U U U 1

U AU U BU U C U
Therefore
A B C
Isomorphism between operators in abstract vector space
and
d matrix
t i representatives.
t ti

## Because of isomorphism not necessary to distinguish

abstract vectors and operators
from their matrix representatives.
representatives

## The matrices (for operators) and the representatives (for vectors)

can be used in place of the real things.

## Copyright Michael D. Fayer, 2009

Hermitian Operators and Matrices

Hermitian operator

x A y y Ax

A A

## Copyright Michael D. Fayer, 2009

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,

dimensions
there exists an orthonormal basis,
U1 , U2 U N
relative to which A is represented by a diagonal matrix

1 0 0
0 0
A 2
0 .

0 N

## The vectors, U i , and the corresponding real numbers, i, are the

solutions of the Eigenvalue Equation
A U U
and there are no others.

## Copyright Michael D. Fayer, 2009

Application of Theorem

## Operator A represented by matrix A

in some basis e i
. The basis is any convenient basis.
In g
general,, the matrix will not be diagonal.
g
There exists some new basis eigenvectors

U
i

## in which A represents operator and is diagonal eigenvalues.

To get from e to U
i i

y transformation.
unitary

U U e .
i i

A U AU
1
Similarity transformation takes matrix in arbitrary basis
into diagonal matrix with eigenvalues on the diagonal.
Matrices and Q.M.

## Dynamical variables represented by linear operators.

O
Operators
t produce
d li
linear transformations.
t f ti y Ax

## Copyright Michael D. Fayer, 2009

Matrix Representation

## Hermitian operators replaced by Hermitian matrix representations.

A A
In p p basis,, A is the diagonalized
proper g Hermitian matrix and
the diagonal matrix elements are the eigenvalues (observables).
1
A suitable transformation U AU takes A (arbitrary basis) into
A (diagonal eigenvector basis)
1
A U AU .
U takes arbitrary basis into eigenvectors.
Diagonalization of matrix gives eigenvalues and eigenvectors.

## Matrix formulation is another way of dealing with operators

and solving eigenvalue problems.

## Copyright Michael D. Fayer, 2009

All rules about kets, operators, etc. still apply.

p
Example
Two Hermitian matrices A and B
can be simultaneously diagonalized by the same unitary
transformation if and only if they commute.

All ideas about matrices also true for infinite dimensional matrices.

## Copyright Michael D. Fayer, 2009

Example Harmonic Oscillator

Have already solved use occupation number representation kets and bras

H
2

1 2 2 1
2

P x aa a a

a n n n 1 a n n1 n1
matrix l t off a
t i elements 0 1 2 3
0 a 0 0
0 0 1 0 0 0

0a1 1 1 0 0 2 0 0
0 a 2 0 2 0 0 0 3 0

3 0
a
0 0 0 4

1a 0 0
1a 1 0

1a 2 2
1a 3 0

0 0 0 0

1 0 0 0

a
0 2 0 0

H
1
2
a a a a
0 0 3 0

0 0 0 4

0 1 0 0 0 0 0 0
1 0 0 0
1
0
0 2 0 0 0 0
0 2 0 0
0 2 0 0
aa 0
0 0 3 0 0 3 0
0 4 0
0 0 0 0 3 0 0 0 0 4

0 0 0 4

## Copyright Michael D. Fayer, 2009

H
1
2

a a a a
0 0 0 0 0 1 0 0
0 0 0 0

0 1 0 0
1 0 0 0 0 2 0
0
0 2 0 0
a a 0 0 0 3 0 0 2 0
0 4

0 0 3 0

0 0 0
0 0 0 3
0 0 0 4

## Copyright Michael D. Fayer, 2009

Adding the matrices a a and a a and multiplying by gives H

1 0 0 0 1 2 0 0 0
0 3 0 0 0 3 2 0 0
1
H 0 0 5 0 0 0 5 2 0
2
0 0 0 7 0 0 0 7 2

## The matrix is diagonal with eigenvalues on diagonal.

diagonal In normal units
the matrix would be multiplied by .

This example
Thi l shows
h id
idea, b
but not h
how to di
diagonalize
li matrix
i when
h you

## Copyright Michael D. Fayer, 2009

Diagonalization

g
Eigenvalue equation
q eigenvalue
g

Au u Au u 0

## matrix representing representative of

operator eigenvector

## In terms of the components

N

a
j 1
ij ij u j 0 i 1, 2 N

## This represents a system of equations

We know the aijj.
a11 u1 a12 u2 a13 u3 0
We don't know
a21 u1 a22 u2 a23 u3 0 - the eigenvalues
ui - the vector representatives,
representatives
a31 u1 a32 u2 a33 u3 0
one for each eigenvalue.
Besides the trivial solution
u1 u2 uN 0

## a11 a12 a13

a21 a22 a23 know aij, don't know 's
a31 a32 a33 0

Expanding the determinant gives Nth degree equation for the
the unknown 's (eigenvalues).

## Then substituting one eigenvalue at a time into system of equations,

the ui (eigenvector representatives) are found.
N equations for u's gives only N - 1 conditions.
Use normalization.
u1* u1 u2* u2 u*N uN 1
Example - Degenerate Two State Problem

p
Basis - time independent kets orthonormal.

H E0
and not eigenkets.
g
H E0 Coupling .

These equations
q define H.

H E0
H
H E0
H E0 H
E0

## Copyright Michael D. Fayer, 2009

The corresponding system of equations is
( E0 ) 0 These only have a solution if
( E0 ) 0 the determinant of the coefficients vanish.

## E0 Take the E0 Make

M k into
i t determinant.
d t i t
0
matrix E0
Subtract from the diagonal
E0
elements.

Expanding
2 Dimer Splitting
E0 2 0
2

E0 Excited State
2 E0 E 0
2 2
0
2

Energy Eigenvalues

E 0
Ground State
E 0 E = 0
To obtain Eigenvectors
Use system of equations for each eigenvalue.

a b
Eigenvectors associated with + and -.
a b

## a , b and a , b are the vector representatives of and

in the , basis set.
We want to find these.

## Copyright Michael D. Fayer, 2009

First, for the
E 0 eigenvalue
y
write system q
of equations.

( H 11 )a H 12 b 0

H 21a ( H 22 )b 0

H 11 H ; H 12 H ; H 21 H ; H 22 H Matrix elements of H

H E0
a ( E0 E0 )b 0
H
H
H E0
The result is
a b 0
a b 0

## Copyright Michael D. Fayer, 2009

An equivalent way to get the equations is to use a matrix form.

E 0 a 0

E0 b 0

S b tit t E0
Substitute

E0 E0 a 0

E0 E0 b 0

a 0
b
0

a b 0
a b 0

## Copyright Michael D. Fayer, 2009

a b 0
The two equations are identical.
a b 0

a b

## Always get N 1 conditions for the N unknown components.

Normalization condition gives necessary additional equation.

a2 b2 1

Then
1
a b
2
and
1 1
Eigenvector in terms of the
2 2 basis set.

## Copyright Michael D. Fayer, 2009

For the eigenvalue
E0
using the matrix form to write out the equations

E0 a 0

E0 b 0

Substituting E0

a 0
b
0

a b 0
a b 0
Th
These equations
i give
i a b
1 1
Using normalization a b
2 2
1 1
Therefore
2 2 Copyright Michael D. Fayer, 2009
Can diagonalize by transformation
H U H U
1

## diagonal not diagonal

Transformation matrix consists of representatives
p of eigenvectors
g
in original basis.

a a 1/ 2 1/ 2
U
b b 1/ 2 1/ 2

1
1/ 2 1/ 2
U complex conjugate transpose
1/ 2 1/ 2

## Copyright Michael D. Fayer, 2009

Then

1/ 2 1/ 2 E0 1/ 2 1/ 2
H
1/ 2
1/ 2 E0 1/ 2 1/ 2

g out 1/ 2
Factoring

1 1 1 E0 1 1
H
2 1 1 E0 1 1

1 1 1 E0 E0
H
2 1 1 E0 E0

## more matrix multiplication

E0 0
H
E0
diagonal
g with eigenvalues
g on diagonal
g
0