Linear Operators in Quantum Mechanics

Atanu Kumar

Assistant Professor
Department of Physics
Chandernagore College

August 29, 2020

Contents

I Space of Wave Functions

I Hermitian and Anti Hermitian Operators
I Expectation Value and Uncertainty
I Eigenvalues and Eigenvectors
I Degeneracy
Space of Wave Functions
I In Quantum Mechanics, measurable physical quantities, called
observables or dynamic variables are represented by linear
operators, which are self adjoint or Hermitian.
I That operators act on the complex vector space of square
integrable functions I(2) .
R∞
I If the integration −∞ |f (x)|2 dx has a finite value then the
function f (x) is said square integrable. Here for simplicity
we assume time independence and single degree of freedom.
I Inner Product of two functions ψ(x) and φ(x) in I(2) are
defined as
Z ∞
hψ, φi = ψ ∗ (x)φ(x)dx.
−∞

I Each of such functions represents a quantum mechanical state

of a system and known as its wave functions. A normalized
wave function means hψ, ψi = 1.
Hermitian and Anti Hermitian Operators

I For each operator  on I(2) , there exists an another operator

† on I(2) , known as Adjoint of Â, defined by
D E D E
† φ, ψ = φ, Âψ , ∀φ, ψ ∈ I(2) . (1)

I If † = Â, then  is said to be Self Adjoint or Hermitian.

So for a hermitian operator
D E D E
Âφ, ψ = φ, Âψ (2)

I If † = −Â, then  is called Anti Hermitian.

I The position operator x̂, defined by x̂ψ(x) = xφ(x), ∀φ ∈ I(2)
is a hermitian operator since
Z ∞ Z ∞
∗
xψ (x)φ(x)dx = ψ ∗ (x)xφ(x)dx,
−∞ −∞
⇒ hx̂ψ, φi = hψ, x̂φi . (3)

I The operator d/dx is anti hermitian since

Z ∞ Z ∞ Z ∞
dψ ∗ ∗ ∞ ∗ dφ dφ
φdx = [ψ φ]−∞ − ψ dx = − ψ ∗ dx,
−∞ dx −∞ dx −∞ dx

where the square integrable functions are assumed to vanish

d
at infinities. The momentum operator, defined by p̂ = −i~ dx
is hermitian since
dψ ∗
Z ∞  Z ∞
dφ
(−i)~ φdx = ψ ∗ (−i)~ dx. (4)
−∞ dx −∞ dx
Solved Problems

Show that (ÂB̂)† = B̂ † † .

Let φ, ψ ∈ I(2) . Since B̂ψ ∈ I(2) and † is adjoint to Â,
D E D E
† φ, B̂ψ = φ, ÂB̂ψ . (5)

Similarly since † φ ∈ I(2) and B̂ † is adjoint to B̂

D E D E
B̂ † † φ, ψ = † φ, B̂ψ . (6)
D E D E
Comparing (5) and (6) we obtain B̂ † † φ, ψ = φ, ÂB̂ψ . So

(ÂB̂)† = B̂ † † (7)

Show that [Â, B̂]† = [B̂ † † ].
For any ψ ∈ I(2) , [Â, B̂]ψ = ÂB̂ψ − B̂ Âψ.
D E D E D E
φ, [Â, B̂]ψ = φ, ÂB̂ψ − φ, B̂ Âψ
D E D E
= B̂ † † φ, ψ − † B̂ † φ, ψ
D E
= [B̂ † † ]φ, ψ

So [Â, B̂]† = [B̂ † † ].

Theorem
If Â, B̂ are hermitian, then ÂB̂ is not necessarily hermitian, since
(ÂB̂)† = B̂ Â. However if  and B̂ commute then ÂB̂ is hermitian.
Expectation Value and Uncertainty

I Expectation Value or mean value of a hermitian operator Â

in a normalized state ψ is given by
D E Z ∞
Āψ = ψ, Âψ = ψ ∗ Âψdx (8)
−∞

I Deviation from Mean of  in the state ψ is ∆ =  − ĀIˆ.

The Mean Square Deviation
  2 
(∆A)2ψ = ψ, ∆ ψ

represents the uncertainty of  in the state ψ.

I Since  is hermitian, then ∆ is also hermitian and (∆A)2 is
positive definite.
From the Schwarz Inequality

||φ||||ψ|| ≥ | hφ, ψi |, for any two vectors,

it can be shown that for any two operators  and B̂ and for any
state ψ, the following inequality holds:
 iE 
1 Dh
(∆A)ψ (∆B)ψ ≥  Â, B̂ .
2 ψ

Using the commutator of [x̂, p̂] = i~, we obtain the Uncertainty

Principle for the position and momentum operators:
~
∆x∆p ≥ .
2
Eigenvalues and Eigenvectors

Let us consider some states ψn (x), such that ∆Âψn = 0, i.e. the
observable corresponding to  can be exactly measured in that
state. Let us denote the expectation value of  in that state be
Ā = an So
 
∆Âψn =  − an Iˆ ψn = 0, ⇒ Âψn = an ψn . (9)

(9) is known as the Eigenvalue Equation for the operator Â,

where an is the Eigenvalue and ψn is the Eigenfunction,
corresponding to an . In general  may have several eigenvalues an
with corresponding eingenfunctions ψn .
Theorem
Eigenvalues of Hermitian Operators are real.

D E D E
ψn , Âψn = Âψn , ψn ⇒ hψn , an ψn i = han ψn , ψn i ⇒ an∗ = an .

Theorem
Eigenfunctions belonging to different eigenvalues of hermitian
operator are orthogonal.

D E D E
ψm , Âψn = Âψm , ψn ⇒ hψm , an ψn i = ham ψm , ψn i
⇒ an hψm , ψn i = am hψm , ψn i .

Since am 6= an , this implies hψm , ψn i = 0.

Example
d 2
Consider the operator  = dx 2 on the space of functions defined
over (−L, L). Eigenvaule Equations are:

d2  nπ 2  nπx 
ψ n = an ψ n ⇒ an = − , ψn = sin .
dx 2 L L
So an are real. ψn are orthogonal, since
Z L  mπx   nπx 
hψm , ψn i = sin sin = 0.
−L L L

For a particular eigenvalue an , there exists several eigenfunctions:

 nπx   nπx   nπx   nπx   nπx 
sin , sin + cos , sin − cos , ...
L L L L L
These are not all orthogonal. It can be shown that the
eigenfunctions corresponding to the eigenvalue an form a vector
subspace of dimension 2 andwe can choose two orthogonal basis
vector in that space such as sin nπx nπx



L , cos L .
Degeneracy

I If an eigenvalue an has several eigenfunctions corresponding to

it, that eigenvalue is said to be Degenerate and
corresponding states are called Degenerate States.

I If the total number of linearly independent degenerate states

corresponding to an eigenvalue an is g , then the eigenvalue is
said to be g -fold degenerate.

nπ 2


I In the previous examples, an = − L are 2-fold degenerate.
Since the eigenfunctions corresponding to different eigenvalues of a
hermitian operator  are orthonormal and hence linearly
independent, and we can choose orthonormal eigenfunctions
corresponding to same eigenvalue, all linearly independent
eigenfunctions of a hermitian operator span a vector space. Any
state ψ in that space can be written as a linear combination of the
eigenfunctions {ψn,l }, where the index l stands for the degenerate
states.
XX XX
ψ= cn,l ψn,l , |cn,l |2 = 1.
n l n l

Expectation value of  in the state ψ is found to be

D E XX
Āψ = ψ, Âψ = an |cn,l |2 .
n l

|cn,l |2 represent the probability of finding the system in the state

ψn,l , provided it is in the state ψ.
Hydrogen Atom

I States of an electron in Hydrogen atom form

a vector space with a set of basis vectors
{ψn,l,m (r , θ, φ)}, that are simultaneous
eigenfunctions of the Hamiltonian operator
Ĥ, Angular Momentum Square L̂2 and the Z
component of Angular Momentum L̂z .

2 2
Z ~ 1
I Eigenvalues of hamiltonian is En = − 2ma 2 n2 , whereas
o
eigenvalues of L̂2 and L̂z are l(l + 1)~ and m~ respectively.
I Eigenvalues of L̂2 are 2l + 1 fold degenerate, and eigenvalues
Pn−1
of Ĥ are l=0 (2l + 1) fold degenerate.
I {Ĥ, L̂2 , L̂z } together form Complete Set of Commuting
Operators.
References

1. S P Kuila, “Vector Analysis, Tensor Analysis and Linear

Vector Space”
2. B.S. Vatssa, “Elements of Modern Algebra”
3. Arfken and Weber, ”Mathematical Methods for Physicists”
4. S Lipschutz, “Schaum’s Outlines: Linear Algebra”