0% found this document useful (0 votes)
40 views

2023 Quantum Mechanics and Concepts

This document is the first chapter of a book on quantum physics and modern applications. It introduces basic concepts in quantum mechanics through a series of problems, including the Schrodinger equation, energy eigenstates, the harmonic oscillator, and Dirac's bra-ket formalism. The chapter is intended as a supplementary learning resource for undergraduate students but also provides advanced material useful for deeper understanding.
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
0% found this document useful (0 votes)
40 views

2023 Quantum Mechanics and Concepts

This document is the first chapter of a book on quantum physics and modern applications. It introduces basic concepts in quantum mechanics through a series of problems, including the Schrodinger equation, energy eigenstates, the harmonic oscillator, and Dirac's bra-ket formalism. The chapter is intended as a supplementary learning resource for undergraduate students but also provides advanced material useful for deeper understanding.
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
You are on page 1/ 42

by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

Chapter 1

Quantum Mechanics and Concepts


Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

This chapter contains primarily problems in basic quantum mechan-


ics. It covers the numerous aspects of quantum mechanics as follows:
Schrodinger equations, eigenfunctions and eigenvalues, completeness,
and so on. The concepts of non-commutativity and Hermiticity in
physics are also introduced. There are problems of harmonic oscilla-
tions which also introduce the matrix formulation of quantum mechan-
ics. In the Dirac formalism, discussion hovers around its representation
in general, matrix and function spaces. This chapter is suitable as a
supplementary material for students learning quantum mechanics at the
level of undergraduate. However, problems and discussions around the
Dirac formalism may also be useful for deeper thought and advanced
understanding.

Basic Quantum Concepts


Problem 1.01 The Schrodinger Equations
Problem 1.02 Energy Eigenstates and Expectation
Problem 1.03 Quantum and Classical Physics of Momentum
Problem 1.04 Particle Current and Flux
Problem 1.05 Completeness Relation: Resolution of Identity
Problem 1.06 Non-commutative Physics
Problem 1.07 Quantum Mechanic Pictures of Hamiltonian
Problem 1.08 Quantum Mechanic Pictures of Operators
Problem 1.09 Hermiticity: Let’s Be Real
Problem 1.10 Hermiticity: Symmetry 1
Problem 1.11 Hermiticity: Symmetry 11
Problem 1.12 Parity Operator

1
2 Quantum Physics and Modern Applications

Harmonic Oscillators
Problem 1.13 Harmonic Oscillator: Energy Spectrum
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

Problem 1.14 Harmonic Oscillator: Raising and Lowering Operation


Problem 1.15 Harmonic Oscillator: Position and Momentum Matrix
Problem 1.16 Harmonic Oscillator: Energy Matrix
Problem 1.17 Harmonic Oscillator: Expectation Matrix Element
Problem 1.18 Harmonic Oscillator: Uncertainty Principle
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

Dirac’s Bra-Ket Formalism


Problem 1.19
Dirac’s Bra-Ket: General and Function Spaces
Problem 1.20
Momentum Operator
Problem 1.21
Position Operator
Problem 1.22
Non-commutative Position and Momentum
Problem 1.23
Explicit: Momentum Operator in Coordinate Representa-
tion
Problem 1.24 Explicit: Position Operator in Momentum Representation
Problem 1.25 Explicit: Eigenfunctions in Coordinate Representation

Basic Quantum Concepts


Problem 1.01 The Schrodinger Equations
In quantum mechanics, the time-dependent Schrodinger equation is
∂ψ(x, t) ∂ 2 ψ(x, t)
i = −2 /2m + V ψ(x, t)
∂t ∂x2
where V is the potential energy of the system. Show that a time-
independent Schrodinger equation can be derived from the above.

Solution
The time-dependent Schrodinger equation consists of the kinetic energy and
the potential energy on the RHS. It’s important that the potential energy
V is not time-dependent, i.e., V = V (x, t). Now, one writes for the solution
of the system a function which is separable in time and space.

ψ(x, t) = R(x)D(t)

Substituting into the time-dependent Schrodinger equation,


1 ∂D(t) 1 ∂ 2 R(x)
i = −2 /2m + V R(x)
D(t) ∂t R(x) ∂x2
Quantum Mechanics and Concepts 3

Since variables t and x are now separated, both sides must be a constant,
one has
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

1 ∂D(t) iEt
i = E → D(t) = Ce− 
D(t) ∂t

and
1 ∂ 2 R(x) ∂ 2R(x)
−2 /2m + V R(x) = E → − 2
/2m + V R(x) = ER(x)
R(x) ∂x2 ∂x2
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

The time-independent Schrodinger equation is

∂2
H = −2 /2m +V
∂x2
HR(x) = ER(x)

H is the operator aka Hamiltonian. R(x) is the spatial part of the eigen-
function. E is the eigenvalue.

Problem 1.02 Energy Eigenstates and Expectation

√ particle in an infinite square well is prepared in an initial state of |ψ =


A
3 1
2 |φ1  + 2 |φ2 . States |φ1  and |φ2  are the two lowest energy eigenstates
of the square well, with eigenvalues ε1 and ε2 , respectively, where ε1 = ε2 .
The initial state is clearly not the eigenstate of the system. Which one of
the following is true as the state |ψ evolves with time?

(A) The expectation value of the energy varies with a beat-like pattern in
time consisting of two frequencies of ω1 = ε1 and ω2 = ε2 .
(B) The expectation value of energy is constant at 34 ε1 + 14 ε2 at all times.
(C) The expectation value of energy varies sinusoidally in time between ε1
and ε2 .
(D) The expectation value of energy varies sinusoidally with an amplitude
3 1
4 ε1 + 4 ε2 .

Note: Bra-Ket notations, e.g., |ψ are used in this problem, but a detailed
understanding of its formalism is not required at this stage. Further elabo-
ration of Dirac’s Bra-Ket formalism will be covered. At this stage, just take
note that Ket |ψ is an alternative to the function of ψ(x) when taken in
coordinate representation.
4 Quantum Physics and Modern Applications

Solution

Initial state: |ψ = 23 |φ1  + 12 |φ2  is not the eigenstate of the system. Like
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

its function form, the initial state can be written as



3 ε1 t 1 ε2 t
|ψ = |φ1 e−i  + |φ2 e−i 
2 2
The Hamiltonian of the system is H, thus

Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

3 ε1 t 1 ε2 t
H|ψ = H|φ1 e−i  + H|φ2 e−i 
2 2

3 ε 1 t 1 ε2 t
= ε1 |φ1 e−i  + ε2 |φ2 e−i 
2 2

due to the fact that the system has |φ1  and |φ2  as the two lowest energy
eigenstates, with eigenvalues ε1 and ε2 . Now, let us write down the trans-
pose conjugate of |ψ,

3 ε1 t 1 ε2 t
ψ| = ε1 φ1 |ei  + ε2 φ2 |ei 
2 2
For a clearer picture, note is to be taken of the following correspondence:

|ψ → ψ(x)
ψ| → ψ ∗ (x)

The expectation value for the energy is


√ √ 
3 ε1 t 1 ε2 t 3 ε1 t
−i  1 ε2 t
−i 
ψ|H|ψ = φ1 |e i 
+ φ2 |e i 
ε1 |φ1 e + ε2 |φ2 e
2 2 2 2
3 1
= ε1 + ε2
4 4

Conclusion: the expectation value of energy is constant at 34 ε1 + 14 ε2 at all


times.

Remarks and Reflections


Note there is a correspondence between a state in function space and one
in the general Bra-Ket space.
Quantum Mechanics and Concepts 5

φm |φn  = δmn General Bra-Ket space


 +∞
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

φ∗m (x)φn (x)dx = δmn Function space


−∞

In the solution, the general Bra-Ket space is used.

Problem 1.03 Quantum and Classical Physics of


Momentum
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

In classical physics, momentum is given by p = mv = m dx dt . It makes


sense to speculate that momentum in quantum physics can be written as
p = m dx
dt , where p is the momentum operator. In the following,

(a) show that a valid expression for the momentum operator is


 ∂
p=
i ∂x
(b) show that the expectation of p with this operator expression is real so
that classical and quantum physics is consistent.

Solution
(a) The expectation for an operator A in a quantum mechanical system
with wavefunction ψ(x, t) is given by
 +∞
A = dxψ ∗ (x, t)Aψ(x, t)
−∞

Therefore, the classical expression for momentum is related to its quan-


tum mechanical expression as follows:

dx d +∞
p = m → p = m dxψ ∗ (x, t)xψ(x, t)
dt dt −∞
Note that the Schrodinger equation is
∂ψ(x, t) 2 ∂ 2 ψ(x, t)
i =−
∂t 2m ∂x2
The momentum expectation is therefore
  2 ∗ 
 +∞ ∂ ψ 2
∗ ∂ ψ
p = dx xψ − ψ x
2i −∞ ∂x2 ∂x2
6 Quantum Physics and Modern Applications

The following pair of expressions are written to simplify the process of


integration above
 
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

∂ ∂ψ ∗ ∂ 2 ψ∗ ∂ψ ∗ ∂ψ ∗ ∂ψ
xψ = 2
xψ + ψ+ x
∂x ∂x ∂x ∂x ∂x ∂x
 
∂ ∂ψ ∗ ∂ 2 ψ ∗ ∂ψ ∗ ∂ψ ∂ψ ∗
xψ = xψ + ψ + x
∂x ∂x ∂x2 ∂x ∂x ∂x
One can now derive the following:
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

  
 +∞ ∂ ∂ψ ∗ ∂ψ ∗ ∂ψ
p = dx xψ − xψ − ψ ψ + 2ψ ∗

2i −∞ ∂x ∂x ∂x ∂x
As the wavefunction ψ is square-integrable and vanishes much more
rapidly than x tending to infinity, the integrand
 
∂ ∂ψ ∗ ∂ψ ∗ ∗
xψ − xψ − ψ ψ
∂x ∂x ∂x
is eliminated upon integration. One is left with
 +∞
 ∂ψ
p = dx ψ ∗
−∞ i ∂x
And the operator expression
 ∂
p=
i ∂x
is deduced.
(b) The expectation of p must be real if quantum and classical physics are
to be consistent. Let’s examine the following:
 +∞  ∗  +∞
∗  ∂ψ  ∂ψ ∗
p = − dx ψ =− dx ψ
−∞ i ∂x −∞ i ∂x
The above leads to
 +∞
 ∂ψ  ∂ψ ∗
p − p∗ = dx ψ ∗ +ψ
−∞ i ∂x i ∂x
 +∞
 ∂(ψ ∗ ψ)
p − p∗ = dx = [ψ ∗ ψ]+∞
−∞ = 0
i −∞ ∂x
The above follows from the square integrability of the wavefunctions,
i.e., they necessarily vanish at the infinite limits. The expectation of p
is therefore real regardless of the state of the system.
Quantum Mechanics and Concepts 7

Problem 1.04 Particle Current and Flux


In quantum mechanics, flux (J) or the probability current is an important
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

physical quantity that obeys the conservation law of

∂P (x, t) ∂J(x, t)
+ =0
∂t ∂x
where P = ψ ∗ ψ is the probability density of the particle in space.
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

(a) Show that flux or probability current in 1D is given by


 
−i † ∂ ∂ †
J= ψ (x, t) ψ(x, t) − ψ(x, t) ψ (x, t)
2m ∂x ∂x

(b) Show that the energy term of eJ.A can be derived from

1 †
H= ψ (p + eA)2 ψ dx
2m

Solution
(a) In quantum physics, current is given by ψ † ∂H ∂H
∂p ψ, where ∂p has the
physical meaning of velocity where H is the Hamilton in classical
physics. To make sure the expression is Hermitian, we perform a sym-
metrization process as follows:
   † 
1 † ∂H ∂H
J= ψ ψ+ ψ ψ
2 ∂p ∂p

Now,

p2 ∂H p
H= → =
2m ∂p m

It thus follows that


   
1 −i † ∂ ∂ †
J= (ψ † p ψ + (p ψ)† ψ) = ψ ψ− ψ ψ
2m 2m ∂x ∂x

(b) To find the interaction energy, we expand the kinetic energy,



1 †
H= ψ (p + eA)2 ψ dx
2m
8 Quantum Physics and Modern Applications

Note that integration limit is taken from −∞ to +∞.



1
ψ † (p 2 + e p · A + eA · p)ψ + e2 ψ † A2 ψ dx
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

H=
2m

This leads to

1
H= ψ † (−2 ∇2 ψ) + [−i∇.(ψ † eAψ) − (−i∇ψ † ) · (eAψ)]
2m
− iψ † eA · ∇ψ + e2 ψ † A2 ψ dx
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

The first term (left) in the square bracket is the surface term that goes
to zero upon integration.

−i∇.(ψ † eA ψ) dx → 0

The expression e2 ψ † A2 ψ is a high-order term that can be neglected.


Thus, what follows is

1
H= −2 ψ † ∇2 ψ − i eA · (ψ † ∇ψ) + i ψ(∇ψ † ) · eA dx
2m

Dropping the kinetic energy term and considering only the interaction
energy term, one has

−ie
H= A · (ψ † ∇ψ − ψ∇ψ † ) dx = e J · A
2m

Remarks and Reflections


−i
Note that the expression for current J = 2m ψ † (x, t) ∂x

ψ(x, t) − ψ(x, t) ∂x

2
ψ † (x, t) is only true for H = 2m
p
in the non-relativistic limit.
−i †
The expression J = 2m ψ (x, t) ∂x ∂
ψ(x, t) − ψ(x, t) ∂x

ψ † (x, t) can also
be derived from

∂P (x, t) ∂J(x, t)
+ =0
∂t ∂x

where P (x, t) is the probability density, and

∂P (x, t) ∂ψ † ∂ψ
= ψ + ψ†
∂t ∂t ∂t
Quantum Mechanics and Concepts 9

Problem 1.05 Completeness relation: Resolution of


Identity
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

Resolution of identity follows from the completeness relation. It is a familiar


technique in the mathematics of quantum physics. Show that in discrete
form, one can write

|ui ui | = 1
i
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

For illustration, we will use the completeness relation for a continuous


system. The objective is to relate quantum mechanics in general vector
form to function form. Let’s choose the position of eigenstates as our con-
tinuous system:

|ui ui | = 1 → |xx|dx = 1
i

Note: Bra-Ket notations, e.g., |ψ are used in this problem, but a detailed
understanding of its formalism is not required at this stage. Further elabo-
ration of Dirac’s Bra-Ket formalism will be covered. At this stage, just take
note that Ket |ψ is an alternative to the function of ψ(x) when taken in
coordinate representation.

Solution
The state vector is written on the basis of discrete eigenkets |ui | as follows:

|ψ = ai |ui 

Focusing on one particular component,

uj |ψ = uj | ai |ui 

With the use of the Kronecker delta function (the discrete version of the
Dirac delta), the above is reduced to one component as shown in the fol-
lowing:

uj |ψ = δij ai = aj


i

Using the above, one can now write

|ψ = ai |ui  = ui |ψ|ui 


10 Quantum Physics and Modern Applications

As ui |ψ is a scalar, one moves the eigenket to the left, resulting in
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

|ψ = |ui ui |ψ

Comparing both sides, one deduces that

|ui ui | = 1
i
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

Problem 1.06 Non-commutative Physics


In quantum mechanics, physical quantities are represented by operators.
Therefore, a lot of times, they do not commute in sequence. The following
are examples of operators that do not commute:

(a) Show that [px , x] = −i = 0.


(b) Show that when [p, r] = a where a is a scalar, [p2 , r] = 2p[p, r].
(c) Prove the identity [AB, C] = A[B, C] + [A, C]B.
(d) Hermitian physics has it that H = x+ ipx corresponds to H ∗ = x− ipx,
show that [H, H ∗ ] = 2.
1 1
(e) Show that 2 [H ∗ H, H] = −H and 2 [H ∗ H, H ∗ ] = H ∗ .

Note: The commutator bracket is defined as [A, B] = AB − BA.

Solution
(a) Note that in coordinate representation, the momentum and position
operators are, respectively, px = − i∂
∂x , x = x. This leads to

   
i∂ i∂
ψ † (x)[px , x]ψ(x) dx = ψ † (x) − x+x ψ(x) dx
∂x ∂x
  
i∂ i∂
= ψ † −iψ − x ψ+x ψ dx
∂x ∂x

= ψ † (−i)ψ dx

Comparing integrands on both sides, one has

[px , x] = −i = 0
Quantum Mechanics and Concepts 11

(b) Since [p, r] = a,

pr − rp = a
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

→ pr = a + rp, rp = pr − a

Now, as [p2 , r] = p2 r − rp2 , one substitutes the above into p2 r − rp2


and obtains

[p2 , r] = p(a + rp) − (pr − a)p


Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

= pa + ap = 2pa

Recalling that [p, r] = a, one has

[p2 , r] = 2p [p, r]

(c) To show [AB, C] = A[B, C] + [A, C]B, one examines the RHS and the
LHS separately:

LHS : [AB, C] = ABC − CAB


RHS : A [B, C] + [A, C]B = ABC − ACB + ACB − CAB
= ABC − CAB = [AB, C]

(d) With H = x + ipx and H ∗ = x − ipx ,

[H, H ∗ ] = (x + ipx )(x − ipx ) − (x − ipx )(x + ipx )


= −2ixpx + 2ipxx

Recalling that [px , x] = −i, one has [H, H ∗ ] = 2


(e) Let’s begin from the LHS
   
1 ∗ 1
[H H, H] = (H ∗ HH − HH ∗ H)
2 2
 
1
= − [H, H ∗ ]H
2
 
1
=⇒ [H ∗ H, H] = −H
2
   
1 ∗ ∗ 1
[H H, H ] = (H ∗ HH ∗ − H ∗ H ∗ H)
2 2
12 Quantum Physics and Modern Applications

 
1
= H ∗ [H, H ∗ ]
2
 
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

1
=⇒ [H ∗ H, H ∗ ] = H ∗
2

Remarks and Reflections


Commutative relations are widely used in non-Abelian gauge which has an
origin in the high-energy physics. Today, the application of non-Abelian
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

physics is widespread, from condensed matter physics to the more special-


ized fields of quantum spintronics and photonics.

Exercise: Derive a similar identity involving [A, BC] and prove the Jacobi
identity [A, [B, C]] + [B, [C, A]] + [C, [A, B]] = 0.

Problem 1.07 Quantum Mechanic Pictures of


Hamiltonian
The Schrodinger picture Hamiltonian is given by HS = H0 + VS . The
different pictures of the operators and the Hamiltonian are summarized
in Table 1. Show that the Hamiltonians of HH (Heisenberg) and HS
(Schrodinger) are time-independent. Find the Hamiltonian of HI (inter-
action).

Solution
In the Schrodinger picture,

HS = H0 + VS

where VS is the potential energy. In the Heisenberg picture, an operator is


time-dependent and is defined as

AH (t) = eiHS t AS e−iHS t

Table 1.

Operators Hamiltonian

Schrodinger Picture AS HS = H0 + VS
Heisenberg picture AH (t) = eiHS t AS e−iHS t HH = HS
Interaction picture AI (t) = eiH0 t A S e−iH0 t HI = H0 + VI (t)
Quantum Mechanics and Concepts 13

Applying this to the Hamiltonian would simply result in

HH = eiHS t HS e−iHS t = HS
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

since HS commute. Therefore, both the Hamiltonians of HH (Heisenberg)


and HS (Schrodinger) are time-independent. We, therefore, write

H = HH = H S

Now, one can set out to find HI . In the Heisenberg picture, an operator is
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

time-dependent and is defined as

AI (t) = eiH0 t AS e−iH0 t

Applying this to the Hamiltonian,

HI (t) = eiH0 t (HS )e−iH0 t


= eiH0 t (H0 + VS )e−iH0 t
= H0 + eiH0 t (VS )e−iH0 t

Therefore,

HI (t) = H0 + VI (t) where VI (t) = eiH0 t (VS )e−iH0 t

Problem 1.08 Quantum Mechanic Pictures of Operators


Show the relationship between the arbitrary operators A of different pic-
tures, i.e., AS , AH , AI . Show that when Vs = 0, the interaction and the
Heisenberg pictures coincide.

Solution
Referring to this table

Operators Hamiltonian

Schrodinger Picture AS HS = H0 + VS
iHS t −iHS t
Heisenberg picture AH (t) = e AS e HH = HS
iH0 t −iH0 t
Interaction picture AI (t) = e AS e HI = H0 + VI (t)
14 Quantum Physics and Modern Applications

One can set out to derive the following relationships:


Interaction and Schrodinger relationship is obtained straight from the
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

above table

AI (t) = eiH0 t AS e−iH0 t

where Hs = Ho +VS , and Ho is the non-interacting part of the Hamiltonian.


Heisenberg and Schrodinger relationship is obtained straight from the
above table
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

AH (t) = eiHS t As e−iHS t

Heisenberg and interaction:

AH (t) = eiHS t (AS )e−iHS t


= eiHS t (e−iH0 t AI eiH0 t )e−iHS t

When VS = 0, one has HS = Ho + VS = Ho . Therefore,

AH (t) = eiHS t (e−iH0 t AI eiH0 t )e−iHS t


=⇒ AH = eiH0 t (e−iH0 t AI eiH0 t )e−iH0 t
=⇒ AH = AI

Remarks and Reflections


Summary: Schrodinger, Heisenberg, and interaction pictures

Operators State Vectors

Schrodinger AS |ψS (t) = e−iHS t |ψ0 


Picture Hamiltonian: HS = H0 + VS
Heisenberg AH (t) = eiHS t AS e−iHS t |ψH  = eiHS t |ψS (t) = |ψ0 
picture Hamiltonian: HH = HS
Interaction AI (t) = eiH0 t AS e−iH0 t |ψI (t) = eiH0 t |ψS (t)
picture Hamiltonian:
HI = H0 + eiH0 t (VS )e−iH 0 t
= H0 + VI (t)
Quantum Mechanics and Concepts 15

|ψ 0  is the initial time-independent state vector. Expectation value of oper-


ator A under different pictures:
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

Schrodinger picture

ψS (t)|AS |ψS (t)

Heisenberg picture
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

ψH |AH (t)|ψH  = ψS (t)|e-iHS t eiHS t AS e-iHS t eiHS t |ψS (t)
= ψS (t)|AS |ψS (t)

Interaction picture

ψI (t)|AI (t)|ψI (t) = ψS (t)|e-iH0 t eiH0 t AS e-iH0 t eiH0 t |ψS (t)
= ψS (t)|AS |ψS (t)

Problem 1.09 Hermiticity: Let’s Be Real


A Hermitian operator is the physicists’ term for what the mathematicians
call a self-adjoint operator. Hermitian operators are particularly important
in quantum mechanics because they signify real eigenvalues. In quantum
mechanics, the momentum operator is written as follows:

 ∂
p= = −i∂x
i ∂x

Referring to the expectation for O operator in different expressions (see


Table 2), show that the momentum operator is a Hermitian operator.

Table 2.

Form Expressions
  ∗ 
1. Integral form φ∗ (Oψ)dx = ψ∗ Oφdx = ψ(Oφ)∗ dx

2. Bra-ket form φ|O|ψ = ψ|O|φ∗


Note: Notations ∂x and ∂x
are interchangeable.
16 Quantum Physics and Modern Applications

Solution
Referring to Table 2, for simplicity, operator O is Hermitian if its expecta-
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

tion satisfies
 
ψ † (Oψ) dx = (O ψ)† ψ dx


Note that ψ † Oψ is the conjugate of (Oψ) ψ, and symbol † is simply
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

conjugate for scalar ψ. Now, the following is performed for the momentum
operator:
 
† 
ψ pψ = ψ † ∂x ψ dx
i

= −i ψ † dψ

= −iψψ † |∞
−∞ + i (dψ † )ψ

The surface term on the RHS vanishes, as wavefunctions vanish at the


infinities. One is left with
  
ψ † pψ = i (dψ † )ψ = i (∂x ψ † )ψdx

Now,
 

i (∂x ψ )ψdx = (−i∂x ψ)† ψdx

Note in the above that use is made of


 ∗  
d d
−i = i
dx dx

Therefore,
 
ψ † pψ = (pψ)† ψdx

and it is shown that p is Hermitian.


Quantum Mechanics and Concepts 17

Problem 1.10 Hermiticity: Symmetry 1


Assuming that O is non-Hermitian. Show that one can perform a process
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

of symmetrization as follows:

1
A= (ψ † (Oψ) + (Oψ)† ψ)dx
2
and A will be Hermitian.
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

Solution
An operator O that is Hermitian would satisfy
 

ψ † Oψ = (Oψ) ψ


The above implies that for a non-Hermitian O, the expression (Oψ) ψ
would be the complex conjugate of ψ † Oψ. As a result,

1
A= (ψ † Oψ + (Oψ)† ψ)
2
would be real as shown by

A= Re(ψ † Oψ)

In other words, A consists of only the real part of ψ † Oψ and is, therefore,
Hermitian.

Problem 1.11 Hermiticity: Symmetry 11


Hermiticity is a concept that applies equally to scalar, matrix, and operator.
Hermiticy involving matrices is an important part of linear algebra. In the
event of square matrices for S and P , one can show that if S and P are
individually Hermitian, the expression

P S + SP

is always Hermitian even though [S, P ] = 0.

Solution
To be sure that P S is Hermitian or self-adjoint, we need to show that
P S = (P S)† , i.e., product matrix P S is its own adjoint. Let’s take the
18 Quantum Physics and Modern Applications

adjoint of P S by writing

(P S)† = S † P †
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

If S and P are individually Hermitian,

S † = S; P† = P

Therefore,
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

(P S)† = S † P † = SP

If [S, P ] = 0, one would have

(P S)† = SP = P S

The above shows that P S is Hermitian only when [S, P ] = 0. The fact that
S, P are individually Hermitian is no promise that P S is Hermitian. Now,
in the event that [S, P ] = 0, or S doesn’t commute with P, P S would not
be Hermitian. However, by taking the conjugate of (P S + SP ),

(P S + SP )† = (P S)† + (SP )†
= (SP + P S)

Therefore, (P S + SP ) is Hermitian as

(P S + SP )† = (P S + SP )

One concludes that (P S + SP ) is always Hermitian as long as S and P are


individually Hermitian.

Remarks and Reflections


In summary, it can be proven as follows:

(1) When an invertible matrix A is Hermitian, A−1 will also be Hermitian.


(2) The sum of any two Hermitian matrices is Hermitian, i.e., is P and S
are individually Hermitian, (P + S) is definitely Hermitian.
(3) The entries on the main diagonal of a Hermitian matrix are real.

A fully real matrix is Hermitian if and only if it is symmetrical.


Quantum Mechanics and Concepts 19

Problem 1.12 Parity Operator


The parity operator is defined as
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

P ψ(x) = ψ(−x)

(a) Prove that the parity operator is Hermitian.


(b) Show that the eigenvalues of P are ±1.
(c) Find the eigenstates φe (x) and φo (x), corresponding to eigenvalues of
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

+1 and −1, respectively.


(d) Show that the eigenstates φe (x) and φo (x) are orthogonal to one
another.
(e) Show the orthogonality relation using the Bra-Ket formalism.

Note: The Bra-Ket formalism will be covered in greater detail from Prob-
lem 1.18 onwards. Part (e) can be read together with the Bra-Ket problems
later if readers so prefer.

Solution
(a) Definition of Hermiticity:
 +∞  +∞
ψ ∗ (x)Aφ(x)dx = (Aψ(x))∗ φ(x)dx
−∞ −∞

Apply the LHS to the parity operator,


 +∞  +∞

ψ (x)P φ(x)dx = ψ ∗ (x)φ(−x)dx
−∞ −∞

Let y = −x
 +∞  −∞  +∞
∗ ∗
ψ (x)P φ(x)dx = −ψ (−y)P φ(y)dy = ψ ∗ (−y)φ(y)dy
−∞ +∞ −∞

Since y is a dummy variable,


 +∞  +∞  +∞
ψ ∗ (x)P φ(x)dx = ψ ∗ (−x)φ(x)dx = (P ψ(x))∗ φ(x)dx
−∞ −∞ −∞

The parity operator satisfies the definition of Hermiticity.


20 Quantum Physics and Modern Applications

(b) To find eigenvalues, let φ1 (x) be the eigenvalue of P and note that

P φ1 (x) = A1 φ1 (x) and P φ1 (x) = φ1 (−x)


by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

Now,

P 2 φ1 (x) = P (P φ1 (x)) = P (A1 φ1 (x)) = A1 P φ1 (x)


= (A1 )2 φ1 (x) (A)
P 2 φ1 (x) = P (P φ1 (x)) = P (φ1 (−x))
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

= φ1 (x) (B)

From (A) and (B),

(A1 )2 φ1 (x) = φ1 (x) → A2 = 1, A = ±1

(c) To find the eigenfunctions, note that the eigenvalues are A = ±1


For A = +1,

P φe (x) = (+1)φe (x)


φe (−x) = φe (x) → any even function of x

For A = −1,

P φe (x) = (−1)φo (x)


φo (−x) = −φo (x) → any odd function of x

(d) To show orthogonality,


 +∞
I= φ∗e (x)φo (x)dx
−∞

Let y = −x
 −∞  +∞
I= φ∗e (−y)φo (−y)(−dy) = φ∗e (y)(−φo (y))dy
∞ −∞

y is a dummy variable,
 +∞
I =− φ∗e (x)φo (x)dx = −I → I = 0
−∞
Quantum Mechanics and Concepts 21

(e) Orthogonality can also be shown with the Bra-Ket formalism

φe |φo  = φe |I|φo  = φe |P 2 |φo 


by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

= P † φe |P φo 

Since P = P † because of Hermiticity,

φe |φo  = P φe |P φo  = +φe | − φo 


Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

As a result,

φe |φo  = −φe φo  → φe |φo  = 0

Harmonic Oscillators
Problem 1.13 Harmonic Oscillator: Energy spectrum
(a) A simple harmonic oscillator energy is given by

p2 1
H= + mω 2 x2
2m 2
Show that this energy system can be constructed with a pair of
operators a− , a+ which are Hermitian conjugate to one another, i.e.,
(a− )† = a+ .
(b) Show that [a− , a+ ] = 1 and that the Hamiltonian can be represented
by these operators as
 
1
HSHO = ω a+ a− +
2

(c) Find the eigenenergy of the SHO system.

Solution
(a) One can write
  
p2 1 mω ip mω ip
ET = + mω 2 x2 = ω x− √ x+ √
2m 2 2 2mω 2 2mω

But in quantum mechanics, the momentum and the position operators


do not commute as shown by [p, x] = −i. Expanding ET and elevating
22 Quantum Physics and Modern Applications

the x and p to operators lead to


  
mω ip mω ip
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

HT = ω x− √ x+ √
2 2mω 2 2mω
p2 1 iω
= + mω 2 x2 − (px − xp)
2m 2 2
Therefore, ET =⇒ HT
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

1
HT = HSHO − ω
2
where HSHO is the quantum version of the SHO energy system. By
inspection of
  
mω ip mω ip
HT = x− √ x+ √
2 2mω 2 2mω

one can now introduce a pair of operators to represent the energy sys-
tem as follows:

mω ip mω ip
a+ = x− √ , a− = x+ √
2 2mω 2 2mω

Check that the pair is Hermitian conjugate to one another, i.e.,

mω † ip† mω ip
(a+ )† = x +√ = x+ √ = a−
2 2mω 2 2mω

(b) Let’s start with the commutator as follows:


  
mω ip mω ip
[a− , a+ ] = x+ √ x− √
2 2mω 2 2mω
  
mω ip mω ip
− x− √ x+ √
2 2mω 2 2mω
i i i i i
= px + px − xp − xp = [p, x] = 1
2 2 2 2 

From HT = HSHO − 12 ω one has


 
1 1
HSHO = HT + ω = ω a+ a− +
2 2
Quantum Mechanics and Concepts 23

(c) First of all, check that

[HSHO , a− ] = ω[a+ a− , a− ] = −ωa−


by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

[HSHO , a+ ] = ω[a+ a− , a+ ] = ωa+

The eigenvalue equation should look like this

HSHO |En  = En |En 

Let us now perform HSHO a− |En . Making use of [HSHO , a− ] =


Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

−ωa− , one has

HSHO a− |En  = (a− HSHO − ωa− )|En 


= (En − ω)a− |E

The above shows that a− |En  is also an eigenstate of HSHO with energy
lower than En by ω. This process can go on until the lowest energy
state |E0  is reached. The lowest energy state does not have to be zero.
Since there is no more state below E0 , further lowering it is formally
described by

a− |E0  = 0
1
Recalling that HSHO = ω a+ a− + 2 ,
1
HSHO |E0  = ω|E0 
2
The ground state energy is E0 = 12 ω. Let us now perform HSHO a+ |En .
Making use of [HSHO , a+ ] = −ωa+ , one has

HSHO a+ |En  = (a+ HSHO + ωa+ )|E


= (En + ω)a+ |En 

The above shows that a+ |En  is also an eigenstate of HSHO with energy
higher than En by ω. Applying this to ground state E0 ,

HSHO a+ |E0  = (E0 + ω)a+ |En 

This process will go one with each successive application of a+ on the


energy eigenstate. Therefore, one deduces that the eigenenergy of the
SHO is
   
1 1
En = n + ω, ϕn |HSHO |ϕn  = n + ω
2 2
24 Quantum Physics and Modern Applications

Problem 1.14 Harmonic Oscillator: Raising and Lowering


Operation
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

In a simple harmonic oscillator (SHO) system, state |ϕn represents its


nth energy eigenstate, with eigenenergy of En = n + 12 ω. The lowering
operator acts on it as follows: a− |ϕn  = kn |ϕn−1 .

(a) Assuming that |ϕn  and |ϕn−1  are both normalized, show that kn =

n.
(b) Evaluate the lowering operation (a− )n |ϕn  where |ϕn  is the normalized
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

nth energy eigenstate of the SHO system, and n is a positive integer.


Which
√ one of the following
√ is the √
answer? 
(1) nn |ϕ1 , (2) n!|ϕ0 , (3) n!|ϕ1 , (4) (n − 1)!|ϕ0 ,
(5) (n − 1)!|ϕ1 

Solution
(a) Let a− |ϕn  = kn |ϕn−1 , and thus
1
|ϕn−1  = a− |ϕn 
kn
Take the transpose conjugate of the above and one has
1 1
ϕn−1 | = ∗
ϕn |(a− )† = ∗ ϕn |a+
kn kn
The above leads to
1 1
ϕn−1 |ϕn−1  = 2
ϕn |a+ a− |ϕn  =⇒ 1 = 2 ϕn |a+ a− |ϕn  (A)
kn kn
Now, we make use of the identity that [a− , a+ ] = 1, which quickly leads
to a+ a− = a− a+ − 1. The Hamiltonian of an SHO system is
 
1
H = ω a− a+ −
2
which once again leads quickly to
H 1 H 1
a− a+ = + , a+ a− = −
ω 2 ω 2
1
Substitute a+ a− = H
ω − 2 into (A), and one has
  
1 1 1
1= ϕn |H|ϕn  − ω
kn2 ω 2
Quantum Mechanics and Concepts 25

1
Since ϕn |H|ϕn  = En = n + 2 ω, one has
   
1 1 1 1 1 √
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

1= n+ ω − ω = n =⇒ kn = n
kn2 ω 2 2 kn2

(b) The lowering operation works as follows:



(a− )|ϕn  = n|ϕn−1 
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

Repeating the process,

(a− )2 |ϕn  = (a− )(a− )|ϕn 



= n(a− )|ϕn−1 

= n(n − 1)|ϕn−2 

By inspection, repeating the above n times would lead to



(a− )n |ϕn  = n(n − 1)(n − 2) · · · (n − (n − 1))|ϕn−n 

= n(n − 1)(n − 2) · · · 1|ϕ0 

= n!|ϕ0  → answer is (2)

Problem 1.15 Harmonic Oscillator: Position and


Momentum Matrix
Express the momentum and the position operator as of an SHO particle in
matrix representation up to matrix size 4 × 4 and in terms of ω and m.

Note: In previous problems, quantum mechanical states are presented


mostly in function space. Dirac’s Bra-Ket was sometimes used to illustrate
some quantum mechanical concepts but depth was not required at the time.
In this problem, the matrix formalism is introduced. Quantum states can
thus be expressed in the general Bra-Ket space, as well as the function and
the matrix spaces.

Solution
The raising and lowering operators have been defined as follows:

mω ip mω ipx
a+ = x− √ , a− = x+ √
2 2mω 2 2mω
26 Quantum Physics and Modern Applications

The position operator can be expressed in terms of these operators as fol-


lows:
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.


2ipx 2mω
a− − a+ = √ , a− + a+ = x
mω 
mω 
=⇒ px = −i (a− − a+ ), x= (a− + a+ )
2 2mω
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

The matrix component for px is given by

[px ]ij = ϕi−1 |px |ϕj−1 

e.g., [px ]11 = ϕ0 |(a− − a+ )|ϕ0 . Recalling that


√ √
a− |ϕn  = n|ϕn−1 , a+ |ϕn−1  = n|ϕn , (a− )|ϕ0  = 0

one can show by going up to matrix size 4 × 4 that


⎡ ⎤
0 −1 0
√ 0
mω ⎢
⎢1 √0 − 2 0 ⎥
⎥,
[px ]ij =i √
2 ⎣0 2 √0 − 3⎦
0 0 3 0
⎡ ⎤
0 1 √0 0
 ⎢ 1 0 2 ⎥
[x]ij = ⎢ √ √0 ⎥
2mω ⎣0 2 √0 3⎦
0 0 3 0

Problem 1.16 Harmonic Oscillator: Energy Matrix


Express the Hamiltonian and the potential energy operator of an SHO
particle in matrix representation (in the basis of the energy eigenstates),
up to matrix size 4 × 4, and in terms of ω and m.

Note: In previous problems, quantum mechanical states are presented


mostly in function space. Dirac’s Bra-Ket was sometimes used to illustrate
some quantum mechanical concepts but depth was not required at the time.
In this problem, the matrix formalism is introduced. Quantum states can
thus be expressed in the general Bra-Ket space, as well as the function and
the matrix spaces.
Quantum Mechanics and Concepts 27

Solution
(a) Consider the matrix component for the Hamiltonian:
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

[H]ij = ϕi−1 |H|ϕj−1 

Note the offset by −1. It follows that


   
1
[H]ij = ϕi−1 | j − 1 + ω|ϕj−1
2
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

 
1
= j− ωϕi−1 |ϕj−1 
2
 
1
= j− ωδij
2

Therefore, the Hamiltonian of an SHO particle in matrix representation


up to matrix size 4 × 4 is a diagonal matrix as shown in the following:
⎡ ⎤
1/2 0 0 0
⎢ 0 3/2 0 0 ⎥
[H]ij = ω ⎢
⎣ 0

0 5/2 0 ⎦
0 0 0 7/2

Making use of
⎡ ⎤
0 1 √0 0

 ⎢1 0 2 ⎥
[x]ij = [x]ij = √ √0 ⎥
2mω ⎣0 2 √0 3⎦
0 0 3 0

one has
⎡ ⎤ ⎡ ⎤
0 1 √0 0 0 1 √0 0

 ⎢1 0 ⎥
2 √0 ⎥ ⎢1 ⎢ 2 √0 ⎥
[x2 ]ij = √ · √0 ⎥
2mω ⎣0 2 √0 3⎦ ⎣0 2 √0 3⎦
0 0 3 0 0 0 3 0
⎡ √ ⎤
1 0 2 √0
 ⎢⎢√0 3 0 6⎥

= ⎣
2mω 2 √0 5 0 ⎦
0 6 0 7
28 Quantum Physics and Modern Applications

Therefore, the potential energy is


⎡ √ ⎤
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

1 0 2 √0
1 ω ⎢ 0 3 0 6⎥
mω 2 [x2 ]ij = ⎢√ ⎥
2 4 ⎣ 2 √0 5 0 ⎦
0 6 0 7

Remarks and Reflections


Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

Note that the Hamiltonian is a diagonal matrix, i.e., all the off-diagonal
components are zeros, so it is a constant of motion. However, this is not
the case for the potential energy 12 mω 2 x2 — therefore, its expectation value
varies with time t. This is consistent with the physics of a classical harmonic
oscillator in which both the kinetic and the potential energies oscillate, while
the total energy is a constant.
It’s also worth noting that for any given energy eigenstate, the expec-
tation value of the potential energy is 1/2 that of the total energy. Once
again, this is consistent with the classical harmonic oscillator.

Problem 1.17 Harmonic Oscillator: Expectation Matrix


Element
A simple harmonic oscillator particle is in the n = 2 energy eigenstate.
The ground energy eigenstate corresponds to n = 0 and has an eigenvalue
of 2 ω. Find the expectation value of its momentum p. In the following,

p0 = mω 2 .

Solution
Use is made of
⎡ ⎤
0 −1 0
√ 0
mω ⎢
⎢1 √0 − 2 0 ⎥

[px ]ij = i √
2 ⎣0 2 √0 − 3⎦
0 0 3 0

Recall that

[H]ij = ϕi−1 |H|ϕj−1 


Quantum Mechanics and Concepts 29

Therefore, the expectation value of the momentum in the n = 2 energy


eigenstate is given by
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

ϕ2 |px |ϕ2  = [px ]33 = 0

as shown in the following:


⎡ ⎤
0 −1 0
√ 0

mω ⎢1 0 − 2 0 ⎥

⎢ √ ⎥
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

[px ]ij = i √
2 ⎣0 2 − 3⎦

0 0 3 0

Problem 1.18 Harmonic Oscillator: Uncertainty Principle


An SHO particle is in the state of

2 1
|ψ = |ϕ0  + |ϕ1 
3 3

where |ϕ0  and |ϕ1  are, respectively, the ground state (n = 0) and the first
excited state (n = 1). In other words, the SHO particle has twice the prob-
ability of being in the ground state compared to being in the first excited
state. Evaluate the product of the uncertainty in position and momentum,
i.e., (Δx)(Δpx ), and show that the product is in accordance with Heisen-
berg’s uncertainty principle.

Note: Δx = x2  − x2 and similarly for Δpx .

Solution
The following are listed down for references:
⎡ √ ⎤
√0 1 √0 0
 ⎢ ⎢ 1 √0 2 √0 ⎥
⎥,
[x]ij =
2mω ⎣ 0 2 √0 3⎦
0 0 3 0
⎡ √ ⎤
1 0 2 0
 ⎢⎢√0 3 0 √0 ⎥⎥
[x2 ]ij = ⎣
2mω 2 √0 5 6⎦
0 6 0 7
30 Quantum Physics and Modern Applications

⎡ ⎤
0 −1 0
√ 0
mω ⎢
⎢1 √0 − 2 0 ⎥⎥,
[px ]ij = i √
⎣ − 3⎦
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

2 0 2 √0
0 0 3 0
⎡ √ ⎤
1 0 − 2 0

mω ⎢ 0
⎢ √ 3 0 − 6⎥ ⎥
[p2x ]ij =
2 ⎣− 2 0
√ 5 0 ⎦
0 − 6 0 3
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

The expectation value for the position is

   
2 1 2 1
x = ϕ0 | + √ ϕ1 | x |ϕ0  + √ |ϕ1 
3 3 3 3
√ √
2 2 2 1
= ϕ0 |x|ϕ0  + ϕ0 |x|ϕ1  + ϕ1 |x|ϕ0  + ϕ1 |x|ϕ1 
3 3 3 3
√ √
2 2 2 1
= [x]11 + [x]12 + [x]21 + [x]22
3 3 3 3

⎡ √ ⎤
 √0 1 √0 0
⎢ 1 ⎥
Referring to [x]ij =  ⎢ √0 2 √0 ⎥
2mω ⎣ 0 2 √0 3⎦
0 0 3 0


2 2 
x =
3 2mω

Likewise,

√ √
2 2 2 2 2 2 2 1 5
x  = [x ]11 + [x ]12 + [x ]21 + [x2 ]22 =
3 3 3 3 6mω

Therefore,

√   12
 7 
Δx = x2  − x2 =
3 2mω
Quantum Mechanics and Concepts 31

We will now turn our attention to the momentum operator.


√ √
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

2 2 2 1
px  = [px ]11 + [px ]12 + [px ]21 + [px ]22 = 0
3 3 3 3
√ √
2 2 2 2 2 1 2 5mω
p2  = [p2x ]11 + [p ]12 + [p ]21 + [p ]22 =
3 3 x 3 x 3 x 6
 1
5 mω 2
Δpx =
3 2
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

Now, let us check the uncertainty relation:

√   12   12
7  5 mω
(Δx)(Δpx ) =
3 2mω 3 2
 
= 1.14 >
2 2

The product is in accordance with Heisenberg’s uncertainty principle.

Dirac’s Bra-Ket Formalism


Problem 1.19 Dirac’s Bra-Ket: General and Function
Spaces
Dirac Bra-Ket is a general expression for operators and states that could
take on different forms in their respective spaces. We will focus on the
relations between the spaces, e.g., Av ↔ Af (see definitions for “v” and
“f ” in the following). The physical state of a system can be described by
a mathematical object (vector) known as the Ket. The Ket is thus known
as a state vector. In the following, show that
 +∞
φ|A |ψ =
v
φ∗ (x)Af ψ(x)dx
−∞

Note: For example, an electron with a well-defined momentum state is


denoted by Ket |p, which takes on different forms in the spaces of matrices
or functions. On the other hand, a spin up state is denoted by Ket | ↑.

Note: Superscript v denotes a general vector space. The operator can take
on the matrix Am or the function Af forms in their respective spaces.
32 Quantum Physics and Modern Applications

Solution
We need to first set up an equivalent relation as follows:
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

 +∞
φ|ψ = φ∗ (x)ψ(x)dx (A)
−∞

which leads by inspection to


 +∞
ψ|φ = ψ ∗ (x)φ(x)dx
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

−∞

It can thus be deduced that

φ|ψ = ψ|φ∗

In fact, recalling the resolution of identity (completeness relation), i.e.,



i |xi xi | = |xx|dx = 1, setting up (A) implies x|ψ = ψ(x) as fol-
lows:
 +∞
φ|ψ = φ|xx|ψdx → x|ψ = ψ(x), φ|x = φ∗ (x) (B)
−∞

+∞
With this, can we now set out to prove φ|Av |ψ = −∞ φ∗ (x)Af ψ(x)dx?
Not yet. We still need the following definitions in Bra-Ket, i.e.,

Av |ψ = |ψ   = |Av ψ

It then follows right from the above that

φ|Av |ψ = φ|Av ψ = φ|ψ   (C)

Now, with (A), (B), and (C), one has


 +∞
φ|A |ψ =
v
φ∗ (x)ψ  (x)dx
−∞

But what is ψ  (x)? Recalling that x|ψ = ψ(x),

ψ  (x) = x|Av ψ → ψ  (x) = x|Av |ψ

Note that x|Av |ψ = Af ψ(x). Therefore,

Af ψ(x) = ψ  (x) (D)


Quantum Mechanics and Concepts 33

Finally, with (D),


 +∞
φ∗ (x)Af ψ(x)dx
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

φ|A |ψ =
v
−∞

Remarks and Reflections


There are three important steps in the proof:
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

 +∞
(1) φ|ψ = φ∗ (x)ψ(x)dx which implies x|ψ = ψ(x) via the
−∞
completeness relation
(2) Av |ψ = |ψ   = |Av ψ which implies
φ|Av |ψ = φ|Av ψ = φ|ψ  
(3) x|Av |ψ = Af ψ(x) which leads to ψ  (x) = Af ψ(x)

We should now be familiar that a quantum state in the Bra-Ket formal-


ism is represented by notation |ψ also known as the Ket. The Ket has
a counterpart Bra, which bears its conjugate property. For example, the
Bra version of |p is denoted by p|. It is also in the definitions that for
a quantum state vector |p, there exists an operator P v that acts on the
vector. The same applies to the position. We may obtain the following:

P v |p = p|p
Qv |x = x|x

Note that P v is the momentum operator and Qv is the position operator


and |x is the position state vector. By contrast, as shown earlier, we have

Av |ψ = |ψ   = |Av ψ
φ|Av |ψ = φ|Av ψ = φ|ψ  

Problem 1.20 Momentum Operator


Consider P v an abstract object that must be defined to produce, upon
acting on the state |ψ, a real, measurable value. Like the state vectors,
the operator too needs to take on different forms, e.g., in the abstract
(v), matrix (m), or function (f ) spaces. We will focus on the relations in
different spaces for the momentum operator, i.e., P v ↔ P f .
34 Quantum Physics and Modern Applications

In the following, considering specifically the momentum operators P v .


Watch the completeness relation being applied as follows:
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.



x|P |x  =
v
x|P v |pp|x dp

Deduce the following:

(a) x|P v |x  = P f δ(x − x )


Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

(b) p|P v |ψ = P f p|ψ

Note: Superscript v denotes a general vector space, it can take on the matrix
P m or the function P f forms in their respective spaces.

Solution
(a) Letting P v act on |p, one has
 
x|P v |x  = x|P v |pp|x dp = px|pp|x dp

Now, x|p is written as a function φp (x) as follows:

1
x|p = √ eikx
2π

Hence, with substitution,


   
 1 ik.(x−x ) 1  ik·(x−x ) 
x|P |x  =
v
−i∂x e dp = −i∂x e dk
2π 2π

With P f to be constructed as P f = −i∂x ,



 1  ik.(x−x ) 
x|P |x  = P
v f
e dk

Finally,

x|P v |x  = P f δ(x − x )


Quantum Mechanics and Concepts 35

(b) In momentum representation, we will use the momentum eigenvectors


|p as the basis set for the momentum operator in the general space:
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

P v |p = p|p

Now, with completeness relation (resolution of identity),



p|P v |ψ = p|P v |p p |ψdp = pp|ψ
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

As p|ψ = ψ(p),

p|P v |ψ = pψ(p)

Now, in the function space,

P f ψ(p) = pψ(p)

It thus follows that

p|P v |ψ = P f pψ

Problem 1.21 Position Operator


Consider Qv an abstract object that must be defined to produce, upon
acting on the state |ψ, a real, measurable value. Like the state vectors,
the operator too needs to take on different forms, e.g., abstract (v), matrix
(m), or function (f ) spaces. We will focus on the relations in different
spaces for the position operator, i.e., Qv ↔ Qf .
In the following, show that

x|Qν |ψ = Qf x|ψ

Solution
Method A
With the expansion theorem, one can write in terms of position vector.
Note that the position eigenvalues exist in a continuous spectrum.
 +∞
|ψ = Ax |xdx
−∞

x|Qν |ψ = x|Qv | Ax |x dx
36 Quantum Physics and Modern Applications


= x|Ax x |x dx

by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

= Ax x δ(x − x )dx = Ax x

Alternatively, one can also perform the following:


   
x|Qν |ψ = x| |x x x |dx Ax |x dx
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

where Qν has been expressed as Qν = |xxx|dx. It thus follows that



x|Qν |ψ = δ(x − x )x Ax δ(x − x )dx dx

= δ(x − x )Ax x dx = Ax x

Note that
 +∞  +∞

|ψ = Ax |xdx → x |ψ = Ax δ(x − x )dx = Ax
−∞ −∞

This leads to

Ax = ψ(x) = x|ψ

Therefore, Ax is the probability amplitude of locating the electron in state


|ψ at position x, and the value of Ax changes continuously with x. Finally,
one has

x|Qν |ψ = Ax x = ψ(x)x


x|Qν |ψ = xx|ψ = xψ(x)

Now, as

Qf x|ψ = xx|ψ
x|Qν |ψ = Qf x|ψ

Method B
With the completeness relation (continuous identity), it can be shown that

x|Q |ψ = x|Qν |x1 x1 |ψdx1
ν
Quantum Mechanics and Concepts 37

In coordinate representation, the position eigenvectors {|xi } have been


chosen as the basis set. Thus,
 
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

x|Q |ψ = x|x1 x1 ψ(x1 )dx1 = δ(x − x1 )x1 ψ(x1 )dx1
ν

It thus follows that

x|Qν |ψ = xψ(x) = xx|ψ


Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

Now, as

Qf x|ψ = xx|ψ

One has

x|Qν |ψ = Qf x|ψ

Problem 1.22 Non-commutative Position and Momentum


In the following, show that

x|[Qv , P v ]|x  = (x − x )x|P v |x 

where Qv is the position operator and P v is the momentum operator, both


in general vector space.

Solution
Let’s write down the commutative relation as follows:

x|[Qv , P v ]|x  = x|Qv P v |x  − x|P v Qv |x 

We will now proceed with the completeness relation, using the position
eigenvectors |x  as basis set

x|[Qv , P v ]|x  = x|Qv |x x |P ν |x  − x|P ν |x x |Qv |x dx

Note that x|Qv |x  = x δ(x − x ). It thus follows that

x|[Q , P ]|x  = x δ(x − x )x |P ν |x  − x δ(x − x )x|P ν |x dx
v v 
38 Quantum Physics and Modern Applications

Finally,

x|[Qv , P v ]|x  = xx|P ν |x  − x x|P ν |x 


by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

= (x − x )x|P ν |x 

Problem 1.23 Explicit: Momentum Operator in


Coordinate Representation
We have discussed the relations between forms Av ↔ Af , e.g., φ|Av |ψ =
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

+∞ ∗
−∞
φ (x)Af ψ(x)dx and x|Av |ψ = Af ψ(x). Discussion will now be
shifted to the explicit representation of the operators in the function space.
We will focus on the momentum and the position operators

P f and Qf

These operators can be expressed in the coordinate or momentum rep-


resentations. Show that in the coordinate representation, the momentum
operator is

P f = −i∂x

Note: Notations ∂x and ∂x are interchangeable.

Solution
Since P f x|ψ = x|P v |ψ, we will begin with

x|P v |ψ = x|pp|P v |p p |ψdpdp

where use is made of the completeness relation (resolution of identity) in


momentum representation as follows:

|pi pi | = |pp|dp = 1
i

It thus follows that



1
x|P v |ψ = √ eik·x p δ(p − p )ψ(p )dpdp
2π

1
= −i∂x √ eik·x ψ(p)dp
2π
Quantum Mechanics and Concepts 39

By inverse Fourier transform,



1
−i∂x √ eik·x ψ(p)dp = −i∂x ψ(x)
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

2π
ψ(k)
Note that in the above, use has been made of ψ(p) = √ . Note also that

x|P v |ψ = P f x|ψ = P f ψ(x). Therefore,

P f ψ(x) = −i∂x ψ(x)


Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

Inspecting LHS and RHS,


P f = −i∂x = −i
∂x

Problem 1.24 Explicit: Position Operator in Momentum


Representation
We have discussed the relations between forms Av ↔ Af , e.g., φ|Av |ψ =
+∞ ∗
−∞ φ (x)A ψ(x)dx and x|A |ψ = A ψ(x). Discussion will now be
f v f

shifted to the explicit expression of the operators in the function space.


We will focus on the momentum and the position operators

P f and Qf

In quantum mechanics, like the momentum, the position of a particle can


also be elevated to work like an operator. For instance, an electron is a
wave propagating in the crystal structure of materials with translational
periodicity. The wavevector is therefore well defined. The position operator
helps locate its whereabouts. Show that in the momentum representation,
the position operator is

Qf = i∂k


Note: Notations ∂k and ∂k are interchangeable.

Solution
Since Qf p|ψ = p|Qv |ψ, we will begin with

p|Q |ψ = p|xx|Qv |x x |ψdxdx
v
40 Quantum Physics and Modern Applications

where the resolution of identity is



by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

|xi xi | = |xx|dx = 1


i

It follows that

1
p|Q |ψ =
v
√ e−ik·x x δ(x − x )ψ(x )dxdx
2π
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com


1
= i∂k √ e−ik·x ψ(x)dx
2π

By Fourier transform,

1 ψ(k)
i∂k √ e−ik·x ψ(x)dx = i∂k √
2π 

ψ(k)
Note that in the above, use has been made of ψ(p) = √ . Note also that

p|Qv |ψ = Qf p|ψ = Qf ψ(p). Therefore,

Qf p|ψ = i∂k ψ(p)

Inspecting LHS and RHS,


Qf = i∂k = i
∂k

Remarks and Reflections


Note that in the derivation of P f = −i∂x , use is made of the inverse
Fourier transform,

1
ψ(x) = √ eik·x ψ(p)dp = ψ(x)
2π

On the other hand, in the derivation of Qf = i∂k , use is made of the Fourier
transform,

1
ψ(k) = √ e−ik·x ψ(x)dx

Quantum Mechanics and Concepts 41

Problem 1.25 Explicit: Momentum Eigenfunctions in


Coordinate Representation
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

Show that the general form of φ3 (x) = x |k  = ceik·x is derived such that
1
x |k  = 3 eik·x
(2π) 2
Note: φ(x ) = φ3 (x) = φ(x)φ(y)φ(z) and δ(x ) = δ 3 (x) = δ(x)δ(y)δ(z).
Note: x |k  = xkx y|ky z|kz  and k|x = x|k∗ .
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

Note: Bold is used to make explicit statements about the vectorial nature
of the physical quantities involved.

Solution
Method A
Use is made of two common Identities,
 3 
1
δ(w ) = eiw ·x d3 x (A)

p|p  = k|k   = δpp or δ(p − p ) (B)

With Identity A, one has


 3 
1 
δ(p − p  ) = ei(p−p )·x 3
d x

 3 
1 
= ei(k −k )·x 3
d (x)
2π
This leads naturally to
1
δ(p − p  ) = δ(k − k  ) (C)
3
consistent with the identity δ(ax) = δ(x)|a| proven earlier. With Identity B,
and the general form of x |k  = ceik·x , now one can also write

δ(p − p  ) = k  |x x |k d3 x


= cc∗ ei(k −k d x = cc∗ (2π)3 δ(k − k  )
)·x 3
(D)
42 Quantum Physics and Modern Applications

In the above, use had been made of the closure relation. Comparing C
with D, one could thus deduce that c = 1 3 . Therefore,
(2π) 2
by 2400:adc3:104:6900:24d6:29c:acb5:46fe on 11/16/23. Re-use and distribution is strictly not permitted, except for Open Access articles.

1
φ3 (x) = x |k  = 3 eik·x
(2π) 2

Method B
With experience, one alternatively begins with x |p = ceik·x and deduces
Quantum Physics and Modern Applications Downloaded from www.worldscientific.com

that
 

δ(p − p ) = p |x x |pd x = cc∗ ei(k −k )·x d3 x
  3

This leads to

1 i  x
δ(p − p  ) = cc∗ (2π)3 3 e  (p−p )·x 3
d
(2π)3 3
δ(p − p  ) = cc∗ (2π)3 δ(p − p  )
1
Therefore, c = 3 .
(2π) 2

You might also like