UD 1

Functions, vectors and operators in quantum

mechanics

Grado en Ingeniería Física

Rationale

You have been introduced in quantum physics to the the spatial and temporal wavefunctions that are
solutions to the time-independent and time-dependent Schrödinger equations respectively. But
quantum mechanics goes considerably beyond the Schrödinger equation. For example, photons are
not described by the kind of Schrödinger equation you have studied so far.

To prepare for other aspects of quantum mechanics, we need to introduce a more general and
extended mathematical formalism which is based on vector spaces and linear algebra.

Thus far, we have dealt with the state of the quantum mechanical system as the wavefunction
Ψ(r,t) of a single particle. More complex systems will have more complex states to describe,
but in general any quantum mechanical state can simply be written as a list (possibly infinitely
long) of numbers that can be written as a vector. These vectors define a Hilbert space and we will
devote a meaningful part of this unit to elaborate on this generalization from functions to vectors.

The operators of quantum mechanics can then be written as matrices, and the action of the operator
on the function corresponds to the multiplication of the state vector by the operator matrix. It is this
generalized linear algebra approach that we will discuss and develop in this unit, including the
introduction of the Dirac Bra-Ket notation which helps to provide a compact and efficient formulation
of the Hilbert space including the action of operators on state vectors.

2
 Resources

Lecture 13a – Introduction to functions and Dirac notation

Lecture 13b – Functions as vectors
Lecture 13c – Dirac notation
Lecture 13d – Using Dirac notation
Lecture 14a – Vector space
Lecture 14b – Operators
Textbook Videos Lecture 14c – Linear operators and their algebra
Lecture 15a – Bilinear expansion of operators
(Miller) Lecture 15b – The identity operator
Lecture 15c – Inverse and unitary operators
Lecture 16a – Using unitary operators
Lecture 16b – Hermitian operators
Lecture 16c – Matrix form of derivative operators
Chapter 4

Dirac notation and state space (Professor M does science series)

Changing basis in quantum mechanics (Professor M does science series)

Additional
Matrix formulation of quantum mechanics (Professor M does science series)

Hermitian operators (Professor M does science series)

materials Eigenvalues and eigenvectors of operators

3
 Contents

1. Introduction
2. Functions as vectors
3. Vector space
4. Operators
5. Linear operators
6. Evaluation of the elements of a matrix associated to an operator
7. Bilinear expansion of linear operators
8. Important operators (Identity, Inverse, Unitary, Hermitian)
9. Matrix form of derivative operators
10. Matrix corresponding to multiplying by a function
11. Function of an operator

4
Functions as Vectors

Notes

5
Functions as vectors

Notes

6
Functions as vectors

Notes

7
Functions as vectors

Notes

8
Functions as vectors

Notes

9
Functions as vectors

Notes

10
Functions as vectors

Notes

11
Functions as vectors

Notes

12
Functions as vectors

Notes

Paul Adrien Maurice Dirac

Dirac’s notation has been traditionally

unpopular among engineers and regarded
as “cumbersome”. The “irony” is that Dirac
was himself an Electrical Engineer by training.

As you will see, far from being cumbersome it

is elegant and exceptionally “efficient”,
notation, as you would expect from an
engineering product…

13
Functions as vectors

Notes

14
Functions as vectors

Notes

15
Functions as vectors

Notes

This symbol is known as “dagger” (guess why)

16
Functions as vectors

Notes

17
Functions as vectors

Notes

18
Functions as vectors

Notes

19
Functions as vectors

Notes

20
Functions as vectors

Notes

21
Functions as vectors

Notes

22
Functions as vectors

Notes

23
Functions as vectors

Notes

24
Functions as vectors

Notes

25
Functions as vectors

Notes

An analogy in a 2D Euclid space. The

basis change but the vector does not!

26
Functions as vectors

Notes

27
Functions as vectors

Notes

28
Functions as vectors

Notes

29
Functions as vectors

Notes

30
Functions as vectors

Notes

(* This equality will become relevant when we

define the identity operator*)

31
Functions as vectors

Notes

The concept of state vector is key and central

in quantum mechanics

32
Functions as vectors

Notes

33
Functions as vectors

Notes

34
Functions as vectors (→P 4.1.2)

Notes

35
Vector Space

Notes

36
Vector Space

Notes

37
Vector Space

Notes
Vector components are sometimes known as
“projections” over the corresponding axis

38
Vector Space

Notes

39
Vector Space

Notes

40
Vector Space

Notes

41
Vector Space

Notes

42
Vector Space (→P 4.2.1)

Notes

43
Operators

Notes

44
Operators

Notes

45
Operators

Notes

46
Operators

Notes

47
Linear operators

Notes

48
Linear operators

Notes

49
Linear operators

Notes

50
Linear operators

Notes

51
Linear operators

Notes

52
Linear operators

Notes

53
Linear operators

Notes

54
Linear operators

Notes

55
Linear operators

Notes

56
Linear operators

Notes

57
Linear operators

Notes

58
Linear operators

Notes

59
Linear operators

Notes

60
Linear operators

Notes

61
Linear operators

Notes

62
Linear operators

Notes
The starting point would be:

d1 = A11c1 + A12 c2 + A1N cN

And so on…..

63
Linear operators

Notes

64
Evaluation of the elements of a matrix associated
to an operator

Notes

65
Evaluation of the elements of a matrix associated
to an operator

Notes

66
Evaluation of the elements of a matrix associated
to an operator

Notes

67
Evaluation of the elements of a matrix associated
to an operator

Notes

68
Evaluation of the elements of a matrix associated
to an operator

Notes

69
Evaluation of the elements of a matrix associated
to an operator

Notes

70
Evaluation of the elements of a matrix associated
to an operator

Notes

71
Evaluation of the elements of a matrix associated
to an operator

Notes

72
Bilinear expansion of linear operators

Notes

73
Bilinear expansion of linear operators

Notes

74
Bilinear expansion of linear operators

Notes

75
Bilinear expansion of linear operators

Notes

76
Bilinear expansion of linear operators

Notes

77
Bilinear expansion of linear operators

Notes

78
Bilinear expansion of linear operators

Notes

79
Bilinear expansion of linear operators (→P 4.6.1)

Notes

80
Important operators

Notes

There are several ways to reach this

result. Go back to slides 31 and 76 for
instance….

81
Important operators

Notes

82
Important operators

Notes

83
Important operators

Notes

84
Important operators

Notes

85
Important operators

Notes

86
Important operators

Notes

Pay attention to this technique as it is

broadly employed in demonstrations

To rearrange expressions we will move

closed bracket expressions as these are
just numbers……..(see an example in
the next slide)

87
Important operators

Notes

88
Important operators

Notes

89
Important operators

Notes

We will work with linear expressions and thus

summation signs can be interchanged (i,m to
m,i)

90
Important operators (→P 4.8.1)

Notes

91
Important operators

Notes

92
Important operators

Notes

93
Important operators

Notes
Unitary operators play a key role in Quantum
Mechanics and in Quantum Information

94
Important operators

Notes

This is lengthy but straightforward, DO IT!

It is important that you memorize this

simple rule

95
Important operators

Notes

96
Important operators

Notes

97
Important operators

Notes

98
Important operators

Notes

We label this representation as:

 1  1   u11 
   
 
 2 1  = u21 
 3  1  u31 
   
   

99
Important operators

Notes

1 2 3

100
Important operators

Notes

i.e. This transformation is only a change of

basis

101
Important operators

Notes

m  i =  i m
*
Remember that and

that this is a number that we can move!

102
Important operators

Notes

103
Important operators

Notes

104
Important operators

Notes

There is an interpretation for this

†
expression. U is the inverse change of
basis, Aˆold the operator in the “old”
base and U returns again the vector
to the new basis.

105
Important operators (→P 4.10.1) &(→P 4.10.2)

Notes

106
Important operators

Notes

107
Important operators

Notes

108
Important operators

Notes

109
Important operators

Notes

110
Important operators

Notes

This is a very important property linked to the

fact that physical measurable quantities, as
far as we know, are described by Hermitian
operators….

111
Important operators

Notes

112
Important operators

Notes

113
Matrix form of derivative operators

Notes

114
Matrix form of derivative operators

Notes

There is a notation error in the textbook

change
x →  x
x

x

115
Matrix form of derivative operators

Notes
Many useful operators are not Hermitian as
we will see (i.e creation and annihilation)

116
Matrix corresponding to multiplying by a function

Notes

 V ( x1 ) 0 0 0   f ( x1 ) 
  
 0 V ( x2 ) 0 0   f ( x2 ) 
.
 0 0 0  
  
 0 0 0 V ( xn )   f ( xn ) 

117
Function of an operator

Function of an operator Notes

Consider a function F of a variable z For example:
Assume we can expand it in a
power series

Aˆ n ˆ ˆ AAA
AA ˆˆˆ
e =
Aˆ
= I + Aˆ + + +
 n =0 n ! 2! 3!
F ( z) =  fn z n
n =0

By definition the corresponding

function of an operator  is given by:

F ( Aˆ ) =  f n Aˆ n
n =0

118