QUANTUM MECHANICS 1 SPH 313

3.6 Dirac Notation of Bra and Kets and Matrix Representation of Operators
and Wavefunctions

Quantum Mechanics problems can be solved using the matrix representation operators and states.
An operator acting on a state is a matrix times a vector. The product of operators is the product of
matrices. Operators which don't commute are represented by matrices that don't commute.

3.5.1 Dirac Bracket Notation  Bra | Ket

The appearance of many quantum mechanical expressions is greatly simplified by adopting the Dirac
Bracket notation in which the integrals are written as follows
 m |  | n    m  n dx
The symbol |  n  is called a ket, and denotes the state with wavefunction  n . Similarly, the symbol
 m | is called a bra, and denotes the complex conjugate of the wavefunction  m . When the
operator   1 , we use the convention
 m | n    m n dx
The normalization condition eqn becomes
 n | n   1   n n dx
The orthonormality condition eqn becomes
1 n  m
 m | n    nm   m n dx where  nm  
0 n  m
The expectation value of an operator  for a quantum system in state | f  is defined to be
 Aˆ    f | Aˆ | f 
It is prudent to understand this expectation value in terms of the eigenstates and eigenvalues of  letting
| f  | 
n
n  fn

A final point is that, as can readily be deduced from the definition of a Dirac bracket,
 m | n    n | m  

3.5.2 The properties of Hermitian operators in terms of Dirac Notation

In terms of the Dirac notation, the definition of hermiticity is

 m |  | n    n |  | m  
This property has far reaching implications. First we shall establish the following property:

Property 1: The eigenvalues of Hermitian operators are real.

To prove this result, we consider the eigenvalue equation

 |     |  

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

The ket |    denotes an eigenstate of the operator  in the sense that corresponding wavefunction
is an eigenfunction of the operator and we are labelling the eigenstates with the eigenvalue  of the
operator  . It is often convenient to use the eigenvalues as labels in this way. Multiplication from the
left by   | results in the equation
 |  |        |   
Now take the complex conjugate of both sides and noting that   |     1
  |  |       
However by hermiticity   |  |        |  |    . Therefore it follows that     , which
implies that the eigenvalue  is real.
The second property we shall prove it as follows

Property 2: Eigenfunctions corresponding to different eigenvalues of a Hermitian operator

are orthogonal

That is, if we have two eigenfunctions of an Hermitian operator  with eigenvalues  and  / , with
   / , then   |  /   0 . For example, it follows at once that all the wavefunctions of a harmonic
oscillator are mutually orthogonal, for each one corresponds to a different energy (the eigenvalue of
the hamilitonian, an Hermitian operator).
The proof of this property runs as follows. Suppose we have the two eigenstates |    and
|   /  that satisfy the following relations:
 |     |    and  |  /    / |  / 
The multiplication of the first relation by   / | and the second by   | gives
 / |  |      / |   and   |  |   /    /   |   / 
Next, take the complex conjugate of the second relation and subtract it from the first:
 / |  |      |  |  /       / |      /   |   /  *
Because  is Hermitian, the LHS of this expression is zero; so (noting that  / is real and using
  |  /      / |   as explained earlier) we arrive at
   
/
|    0
/
However, because the two eigenvalues are different, the only way of satisfying this relation is for
  / |    0 , as was to be proved.

3.5.3 Review of Bra and Ket Vectors

Quantum Mechanics problems can be solved using the matrix representation operators and states.
An operator acting on a state is a matrix times a vector. The product of operators is the product of
matrices. Operators which don't commute are represented by matrices that don't commute.

The symbol | a  is called a ket column vector while  b| is called a bra row vector containing
complex conjugate elements.

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

If a complex function; z  x  iy then its complex conjugate is z   x  iy . The modulus of z;

z  x 2  y 2 and the product of the complex function and its complex conjugate
2

 zz
2
zz  ( x  iy)( x  iy)  x 2  y 2 . Hence z
 a1 
 
 a2 
Let |a    a3  and  b|  b1 b2 b3 .. bn 
 
 :
a 
 n

Addition: |a  | b  |c

 a1   b1   a1  b1 
     
 a2   b2   a2  b2 
a   b    a  b 
 3  3  3 3
 : :  : 
a  b  a  b 
 n  n  n n
Multiplication by a real or complex constant:  |a   |c
 a1   a1 
   
 |a     a2    a2 
a   a 
 3  3
Multiplication of Bra and Ket: (Inner Product or Dot Product)  Bra | Ket
 b1 
 

 a | b  a 
1 a
2

3 
a  b2   a1b1  a2b2  a3b3
b 
 3
 a1 
 
 b| a   b 
1

b
2 b  a2   b1a1  b2a2  b3a3

3
a 
 3
 b1 
 
 b| a    b2  a1

a2 a3   b1a1  b2 a2  b3a3
b 
 3
Hence a | b   b|a 

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

 
 n | m    n m dx  n | m     
 
; m n dx and
 

 m | n     

n m dx

Square Matrix, M with 3 rows and 3 columns denoted M ij (i = 3 and j = 3)
 m11 m13 
m12  m11 
m12

m13 


  
   

M ij   m21m22 m23  Complex conjugate, M ij   m21 m22 m23 
m   
m32 m33  m33 

 31  m31 m32
Transpose of Square Matrix M
 m11 m21 m31   m11 m21

m31 

  
M ij
T 
  m12 m22

 
m32   M ji Complex conjugate M ij
T 
  m12 m22
 
m32   M 
m   
m33  m33 

 13 m23  m13 m23

M    M
T


 

3.5.4 A HERMITIAN MATRIX

A Hermitian matrix (or self-adjoint matrix) is a complex square matrix that is equal to its own conjugate
transpose. In other words, when the conjugate of a matrix with complex entries is equal to its transpose
of its complex conjugate then it is known as Hermitian matrix.

 p a  ib
M 
a  ib q 
Show that the matrix, is Hermitian. We proceed as follows.

T
 
We see that M    M   M . Since M  M   then the matrix M is Hermitian. Sometimes
T

M  T is denoted as M  . The symbol  is read as “dagger”. Therefore since M   M then M is

Hermitian.

Exercise

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

 1 1  i
M 
1  i 3 
(i) Show the matrix M is Hermitian:
 1 1  i  1 1  i
T

In general, when M   M where M   M    

T
    M then M is
1  i 3  1  i 3 
Hermitian.

(ii) If A and B are Hermitian, find the condition that the product AB will be Hermitian

Solution
If A and B are Hermitian (AB)† = B†A† = BA
If the product is to be Hermitian then (AB)† = AB i.e. AB = BA. Thus, A and B must
commute with each other.

(iii) Show that the following matrices are Hermitian

0 1 0  i 1 0
 1    ;  2    ;  3   
1 0 i0   0  1
1 0
and that  12   2   32     unit matrix
2

0 1
(iv) Example
(a) If A is Hermitian, show that e iA is unitary
(b) What operator may be used to distinguish between e ikx and e  ikx (b) sin ax and cos ax ?
solution
a) Let f  e iA then f   e iA and f  f  e iAe iA  1 hence eiA is Unitary
b) a) Momentum b) Parity

Multiplication of matrix, M with ket vector: M |a   |c

m m12   a1   m11a1  m12a2 
M |a   11      
 m21 m22   a2   m21a1  m22a2 
Determinant of a 2 by 2 Matrix, M
a b  a b
M    Determinant of matrix M denoted det M =  ad  bc
c d  c d
Identity Matrix, I
1 0 1 0
I    det I = 1
0 1 0 1

Unitary Matrix, U

A Unitary Matrix is a form of a complex square matrix in which its conjugate transpose is also its
inverse.
U U    I or UU   I or U  U  since U   U  
T T

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

Therefore, A unitary matrix is also defined as a matrix whose inverse equals it conjugate transpose.

Example (a Unitary matrix)

Show that the following matrix is unitary

1 1  i 1  i 
A 
2 1  i 1  i 
Since
1 1  i 1  i  1 1  i 1  i  1 4 0
AA     I
2 1  i 1  i  2 1  i 1  i  4 0 4
1
We conclude that A  A . Therfore A is a unitary matrix

Trace of a matrix M, denoted TrM

The trace (often abbreviated to tr) of a square matrix M is defined to be the sum of elements on the
main diagonal (from the upper left to the lower right) of M.
a b  a b 
If M    then Tr M     ad
c d  c d 

Hermitian Matrix, H
Hermitian matrix acting on a ket vector produces same vector multiplied by a real number
H | a  a | a
H | b  b | b
Example
1 0  1 0 
Given H    ; | x    ; and | y    
0  1 0  1 
We are required to determine the eigen values  x and  y from the following two equations
H | x  a | x and H | y   y | y

1 0  1 1 1 
H | x  a | x        1   hence the eigenvalue x   1 and eigenvector  
0  1 0 0  0 

1 0  0 0  0 
H | y   y | y        1   hence the eigenvalue  y   1 and eigenvector  
0  1 1 1 1 

To solve for eigenvalues and eigenvectors, here are the steps you need to take.

1 2 
A 
3  4
Step 1: det(A-  I) = 0

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

1  2
 1    4     6  2  3  10    2  5  0
3 4
1  2 and 2  5
By solving the determinant = 0, we get the eigenvalues. Now we just need to consider each
eigenvalue case separately.
Step 2
1  2
1  1 2   v1  0  1 2   v1  0
 A  I v  0              
 3  4  1  v2  0  3  6 v2  0
 v1  2v2  0
 from which we get v1  2 and v2 1
 3v1  6v2  0
Step 4
Now you got one of the eigenvectors. Moving on to the next.
2  5
1  2 2   v1  0 6 2  v1  0 6v  2v2  0
 3               1
  4  2  v2  0 3 1  v2  0  3v1  v2  0
from which we get v1  1 and v2  3
Now you solved the eigenvalue and eigenvector problem
Summary Eigenvalues 1  2 and 2  5
2   1
Eigenvectors   and  
1  3
Checking if your answers are correct and interpretation
1  2
1 2  2  2  2
Av1  v1 3  4 1  2 1 where the eigen value is 2 and the eigen vector v1  1 
      

From the diagram you will get an idea of the importance of n eigen value. What does the eigen value do in
this case ? As you can see from fig a, no matter what kind of transition matrix “A” you have, if you managed
to find its eigenvalues and eigenvectors, the transition using the matrix “A” on eigenvectors does not change
its direction, but just scales by a factor of the corresponding eigenvalues. This is very important so make sure
you understand this!

Fig a: Eigen vector and eigen value of Matrix A

Example

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

1 2  3 2
The operators P and Q commute and they are represented by the matrices   and   . Find
2 1  2 3
the eigen vectors of P and Q. What do you notice about these eigen vectors, which verify a necessary
condition for commuting operators?
Solution

Using the standard method explained elsewhere, define the eigen values λ1 = 3 and λ2 = −1 for the
1  1 1 1
matrix P and the eigen vectors   and   . For the matrix Q, the eigen values are λ1 = 5
2  1 2  1
1  1 1 1
and λ2 = 1, the eigen vectors being   and   . Thus the eigen vectors for the
2  1 2  1
commutating matrices are identical.
Exercise

Find the eigenvalues and corresponding eigenvectors of the following matrices

 2 0 0
 1 2  0  1 2
(a)   (b)  
 2 2  0 2 2
(a) For the Hermitian matrix in (a) show that the eigenfunctions can be normalized and that they
are orthogonal
(b) For the Hermitian matrix in (c) show that the pair of degenerate eigenvalues can be made to
have orthornormal eigenfunctions

Answers
 0 .2   2 0.2 
(a) Eigen values are 3 or -2 with eigenvectors   and   respectively
 2 0 .2   0.2 
 2 0.2 0.2 
Eigenvector matrix  
 0.2 2 0.2 
 0 1 0 
(b) Eigen values are -2, -2 and 3. Eigenvector matrix  2 0.2 0 0.2 
 0.2 0 2 0.2 
(c) For normalization, we need to show that
? ?
1 | 1   1  (2 0.2 )  ( 0.2 )  1
2 2

4(0.2) + 0.2 = 1  0.8 + 0.2 = 1  1 = 1

? ? ?
2 | 2   1  ( 0.2 )  (2 0.2 )  1  0.2  4(0.2) 1
2 2

0.2 + 0.8 = 1  1=1

?
For orthogonality, we must show that 1 | 2   2 | 1   0

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

?
(2 0.2 . 0.2 )  ( 0.2 .  2 0.2 )  0
?
 2(0.2)  2(0.2)  0  0  0
? ?
(d) Show that (for the degenerate eigenvalue    2 ) 1 | 1   1 , 2 | 2   1 and
?
1 | 2   2 | 1   0
? ? ?
1 | 1   1  0  (2 0.2 )  ( 0.2 ) 1  4(0.2)  0.2 1  1  1
2 2

? ?
2 | 2   1  1  0  0  1
2
 1 1
? ?
1 | 2   2 | 1   0  (0) (1)  (2 0.2) (0)  ( 0.2 ) (0)  0
0  0

Eigenfunctions as basis

Why is knowing the eigenfunctions important? Consider box potential: Fourier’s theorem states that
any function ψ(x) that satisfies that boundary conditions  (0) = 0 =  (L) can be written as a sum of
 nx   nx 
sin  . Note that cos  terms do not appear since they do not satisfy the boundary
 L   L 

 nx 
conditions. Since u n  sin  , we can also write  ( x)   c n u n ( x) .
 L  n0

In order to calculate the expansion coefficients c n , we use the orthonormality property of the
eigenfunctions.
 L
  
 u m  ( x) dx  0 m  n 0 cn u n ( x)  dx
 
u ( x )


 L 
  c n  u m ( x) u n ( x) dx  c n  nm  c n
n0 0 n0

The expansion coefficient can be calculated as the integral

u ( x) ( x) dx Expansion coefficients


cn  n

i.e., they can be calculated once the eigenfunctions u n are known explicitly.
Again we do not need the complex conjugate here, since u n is real, but we have written it in the
correct general form. We call the set of functions { u n (x) } complete if an arbitrary function  (x) can
be written as a superposition of functions of the set. A complete, orthonormal set of functions is

9
Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

called a basis. The above properties, derived for the particles in the box, are true in general in Quantum
Mechanics:


c
2
Calculate n
n 1

     

 cn  cncn   cn  un ( x) ( x) dx    ( x) cnun ( x)

 
2

n 1 n 1 n 1   n 1


    

  ( x)  cnun ( x)  dx   ( x) ( x) dx    ( x)


 
2
dx  1
  n 1   


c
2
therefore n  1
n 1
2
Hence the quantity cn can be interpreted as the probability to find the particle in the state n , if a
measurement of the particle’s energy eigenstate is made, given that the particle has been initially
prepared in a state characterized by an arbitrary wavefunction  (x ) . How is a measurement of the
energy eigenstate of the particle made ?  measure energy of the particle.
 2 2 2
En  E1n 2  n
2mL2

Expectation Value of Energy from eigenfunctions as basis


   
 
 E  c E n   c n   u n ( x) ( x) dx  E n
2
n
n 1 n 1   
   
 c u
n 1
n n ( x) E n  ( x) dx 

c u
n 1
n n ( x) Hˆ   ( x) dx
 
 
 

 

( x)Hˆ   c n u n dx  

( x)Hˆ  ( x)   E 
  n 1  


Expectation value for energy  E  

( x)Hˆ  ( x)



Expectation value for energy  E  

( x)Hˆ  ( x)



 E  

n Hˆ  n dx but Hˆ   E


  

 n En n dx  En  n n dx  
  
 E  but n n dx  1 normalization
  

10
Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

 E   En
 
 E    Hˆ Hˆ  n dx  En2  n n dx  En2
2 
n
 

According to the rules of quantum mechanics as we have developed them, if  is the state function,
and u n are the eigenfunctions of a linear, Hermitian operator, A, with eigenvalues an , A u n  a n u n
, then we can expand  in terms of the complete set of eigenfunctions of A according to  =
c n u n , where cn   un  d . Furthermore, the probability of making a measurement of the
2
property corresponding to A and obtaining a value a n is given by cn , provided both  and u n are
properly normalized. Thus, the probability, P(an )  cn . These rules are perfectly valid for operators
2

which take on a discrete set of eigenvalues, but must be generalized for operators which can have a
continuum of eigenvalues.

Exercise

1. Let  x  be some solution of the time independent Schrödinger equation with the above potential
V. Explain why a general expression of  x  can be expressed in terms of  n  x  as

 n x    an n x 
n 1
2
a) What is the physical interpretation of an ?
b) What does it mean that the functions  n  x  are orthonormal? Write it down as a mathematical
condition.
c) Show that  p  0 for any  n , where p is the momentum of the particle. How do you
interpret this result?
d) For any state  n . derive the expression for  p 2  . (You may do this without performing any
2  nx 
L
L
integration, or else use  sin   dx 
0  L  2

11
Maxwell Mageto, PhD