Siddaganga Institute of Technology Department of Physics

Module 2: QUANTUM MECHANICS

de Broglie Hypothesis and Matter Waves, de Broglie wavelength and derivation of

expression by analogy, Phase Velocity and Group Velocity, Heisenberg’s Uncertainty
Principle and its application (Nonexistence of electron inside the nucleus-Non Relativistic).
Wave Function, Time independent Schrodinger wave equation, Physical Significance of a
wave function and Born Interpretation, Expectation value, Eigen functions and Eigen
Values, Motion of a particle in a one dimensional potential well of infinite depth ,
Waveforms and Probabilities. Numerical Problems. 08 hrs

Pre requisite: Wave–Particle dualism

Self-learning: de Broglie Hypothesis

CO2 Comprehend the wave particle dualism, significance of Heisenberg’s uncertainty principle,
mathematical formulation of Schrodinger equation and its applications. .
CO5 Identify and apply the appropriate analytic, numerical and other mathematical tools
necessary to solve physics and engineering problems.

Module 2 – QUANTUM MECHANICS

Introduction:

Newton’s laws of motion were successfully describe the motion of the particles in classical
mechanics (the world of large, heavy and slow bodies) and Maxwell’s equations explained

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phenomena in classical electromagnetism. However the classical theory does not hold in the
atomic scale. It could not explain the stability of atoms, energy distribution in the black body
radiation spectrum, origin of discrete spectra of atoms, etc. It also fails to explain
photoelectric effect, Compton Effect, Hall effect, superconductivity etc. The insufficiency of
classical mechanics led to the development of quantum mechanics (QM). Quantum
mechanics gives the description of motion and interaction of particles in the small scale
atomic system where the discrete nature of the physical world becomes important. QM
successfully introduced the concept of discrete energy which led to the conception and
advancements in quantum computing, it also paved way for efficient long distance transfer of
large quantities of data electronically. By understanding the electronic spin and related atomic
properties, QM has aided in realizing energy efficient materials that can be applied to
consumable electronic equipment and in commercial transport vehicles like Hyper loop,
Maglev trains among others.

Wave-Particle Dualism:
The phenomena of reflection, refraction, interference, diffraction and polarization
exhibited by radiation are explained in classical theory by treating radiation as a wave
phenomenon.
On the other hand, with Planck’s hypothesis of quantization of energy of radiation in
terms of particle like quanta the phenomenon like photoelectric effect, Compton effect, Black
body radiation are explained. It shows that radiation possess a dual behavior i.e. Radiation
behaves as a wave in transmission and as a particle when it interacts with matter.
In accordance with Einstein’s theory of mass, the relation between energy and mass is
E = m c2. Similarly, in accordance with quantum theory of radiation proposed by Planck’s,
radiation consists of photon or quanta with the energy h  . These theoretical considerations

lead de Broglie to prove that matter has dual character i.e. particle as well as wave.
According to him, electrons as well as photons behave as particles, however, under certain

circumstances, they behave like waves. The wavelength of these waves is   h / p  h / mv

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{{For example in photoelectric effect, the emission of electron is accounted for by

treating it as a collision process between a photon of incident light radiation and an electron in
the metal. But in explaining the interference and diffraction phenomena, light radiation is
treated as waves.
Similarly in Compton Effect, the change in energy of radiation is accounted for by
treating it as a collision process between an incident X-ray photon and an electron in the
target. It is also known however, that crystals diffract x-rays and such diffraction is explained
based on the wave nature of x-ray radiation}}.
De Broglie hypothesis or concept of matter waves:
Since a dual behavior is observed for radiation i.e. that of both waves and particles, De
Broglie put forward a hypothesis from symmetry considerations, that “if radiation behaves as
waves under certain circumstances and as particles under some other conditions, then it is
possible that entities which usually behave as particles exhibit wave like properties under
appropriate conditions”. His suggestion was based on “nature loves symmetry”.
De-Broglie proved that a particle (microscopic/nanoscopic particles) in motion has a
wave behavior associated with it and these waves corresponding to a material particle in
motion are called as Matter waves or de Broglie waves.
Definition: The waves associated with material particles such as electrons, protons, neutrons,
atoms, etc. are called as matter waves or de Broglie waves.
The wavelength of the matter waves called as de Broglie wavelength is
  h / p  h / mv
Wave Particle
where, m is the mass of the particle, v is the velocity of the particle where v<<c, and 'h' is the
Planck’s constant.
c – velocity of light)

Derivation of de Broglie wavelength by analogy

The concept of matter waves is well understood by combining Planck’s quantum theory and
Einstein’s theory.

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From Planck’s quantization law of radiation, the energy E of a photon of radiation of

frequency  is given by,
E  h = hc /  (1)
In accordance with Einstein’s theory of mass, the relation between energy and mass is
E  mc 2 (2)
where m is the mass of the particle and c is the velocity of light.
From equations (1) and (2), we therefore have,
hc /   mc 2  h /   mc (3)
ℎ ℎ
λ = mc = (4)
𝑝

Where, p is the momentum of the photon and h is a Planck’s constant.

De-Broglie suggested that equation (4) is applicable to both photons of radiation and also
other material particles. Therefore if a particle of mass 'm' is moving with a velocity ‘v’ such
that v << c (i.e. non-relativistic case), then the wavelength of the wave associated with it is
given by,
  h / p  h / mv (5)

This is the equation for the de-Broglie wavelength.

De Broglie’s equation in different forms:

(A) The DeBroglie equation interms of kinetic energy of particle:

 p  2mE
Therefore, the DeBroglie wavelength of a particle having kinetic energy E as,

  h / p = h/ 2mE

** The wave and particle aspect of radiation or material particles can never be observed
at the same time. In a given situation, radiation and material particles show either a wave like
behavior or particle like nature but never both types of behavior simultaneously.
{The De-Broglie’s hypothesis of possibility of wave nature of material particles under
appropriate conditions was experimentally verified by Davisson and Germer.}
Phase velocity

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Definition: If a point is imagined to be marked on traveling wave then it becomes a

representative point for a particular phase of the wave and the velocity with which it is
transported owing to the motion of the wave is called the phase or wave velocity.

vp =
k

Group Velocity
When two or more waves of same amplitude with slightly different wavelengths and
frequencies are added or superposed on each other, the resultant pattern is a wave packet as
shown in the Fig. The resultant wave packet has variation in the amplitude compared to the
constant amplitude of the individual waves it is composed of. If the velocities of the
component waves are equal, the envelope of the amplitude variation of wave packet moves
with the same velocity as that of individual waves. If the wave group consists of waves whose
velocity depend on their wavelengths then the envelope of amplitude variation or the wave
packet will have a velocity different from the individual waves of the wave group.

Definition: Group velocity is the velocity with which the envelop enclosing a wave group
called wave packet, formed due to the superposition of two or more traveling waves of
slightly different wavelengths, is transported. v g  d / dk

Characteristics of matter waves:

The waves associated with moving particle are called matter waves or DeBroglie waves
and have their wavelength  and frequency  given by,   h / mv
1. Matte waves are associated with a moving body.

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2. When v =0,    ; and v =  ,   0 . This shows that matter waves are generated
by the motion of the particle. The De Broglie wavelength is independent of charge;
this fact reveals that these waves are not electromagnetic waves.
3. The wavelength of the matter waves does not depend on the nature (charge) of the
particle, but it depends on the mass and velocity of the particle.
4. The velocity of the matter waves depend on velocity of the particles. i.e. it is not
constant, where as the velocity of electromagnetic wave is constant. (Based on points
3 and 4, it can be concluded that the matter waves are not electromagnetic waves)
5. Matter waves are represented by a wave packet made up of group of waves of slightly
different wavelengths. Hence, we talk of group velocity of matter waves rather than
phase velocity.

Heisenberg’s Uncertainty Principle

Statement: It is impossible to determine accurately and
simultaneously the values of the two conjugate physical quantities
which describe the motion of atomic system. The product of
corresponding uncertainties present in the measurement is equal to or
greater than h / 4

Ex: Let x and p be the uncertainties involved in the measurement of

position and momentum, then x . px  h / 4

The Heisenberg uncertainty relation can also be expressed for
uncertainties involved in the measurement of other physical variables like
energy E and time t , angular momentum L and angular displacement 
given by E . t  h / 4 and L .   h / 4 respectively.

Explanation: According to classical mechanics, a moving particle has a

definite momentum (mv) and occupies a definite position in space. So both
the position and momentum can be measured accurately at any instant.

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According to de Broglie, a moving particle is associated with a wave.

Thus in wave mechanics, the particle is regarded as wave packet. The
particle may be any where within the wave group or wave packet moving
with group velocity.

Fig.

If the wave group is large, the momentum can find accurately but
there is large uncertainty in determining the position of the particle.
On the other hand, if the wave group is small, the position of the
particle can find accurately but the uncertainty in finding the momentum
increases.
i.e. the certainty in locating the position of the particle involves,
uncertainty in measuring the momentum and vice versa.
This shows that it is impossible to know where the particle in the wave
group is and what exactly the momentum is. Thus uncertainty in the
measurement is not due to the limited accuracy of measurement but due to
inherent uncertainties in determining the quantities involved. But we can
still define the position where the probability of finding the particle is
maximum and also the most probable momentum of the particle.

Physical Significance
One cannot think of finding the exact or accurate values of the
physical variables, instead better concentrate on finding the probable values.

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Any instrument cannot measure any two canonically conjugated physical

quantities more accurately than predicted by Heisenberg’s uncertainty
principle.
Applications: It has been very useful in explaining many observations such
as: Nonexistence of electrons in nucleus, Minimum kinetic energy of an
electron in an atom, Broadening of spectral lines, Diffraction of a beam of
electrons, Nuclear beta decay, Binding energy of an electron in an atom, etc.
Application of Heisenberg’s uncertainty principle

Non-Existence of electrons in the nucleus:

According to Heisenberg’s uncertainty principle
ℎ
Δx • Δp ≥ ……………1
4𝜋

We know that the diameter of the nucleus is of the order of 10-14 m. If the electron is
present inside the nucleus, then the uncertainty in its position is almost equal to the diameter
of the nucleus i.e. Δx = 10−14 𝑚.

ℎ 6.625 𝑥 10−34
Then from equation (1) we have ∆𝑝 ≥ ≥
4𝜋∆𝑥 4 𝑥 3.142 𝑥 10−14

∆𝑝 ≥ 0.527 𝑥 10−20 kgm/s is the uncertainty in the

momentum of the electron. Then the momentum of the electron must at least be equal to the
uncertainty in the momentum i.e. 𝑝 = 0.527 𝑥 10−20 kgm/s.
𝑝2
The energy ‘E’ of the electron is given by 𝐸 = 2𝑚

Substituting for ‘p’ and ‘m’ we get

2
(0.527 𝑥 10−20 )
𝐸= = 1.53 × 10−11 J or 𝐸 = 95.4 𝑀𝑒𝑉
2 𝑥 9.1 𝑥 10−31

This means that in order that an electron may exist inside the nucleus, its kinetic
energy must be greater than or equal to 95.4 MeV. But experiments show that the electrons
emitted by certain unstable nuclei never have more than a small fraction of this energy (about
3MeV to 4MeV). From this we conclude that electron cannot exist within the nucleus.

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Schrödinger’s Equation:
In classical mechanics, the Newton’s equation of motion and Maxwell’s
equations are the fundamental equations for the description of particle
motion and electromagnetic waves respectively.
A general approach to describe the phenomena in the atomic domain
was developed by Schrödinger, Dirac, Heisenberg and others. This
formulation is called the Quantum Mechanics.
In quantum mechanics, the basic fundamental governing equation
which describes the state of the system is the Schrödinger equation. Unlike
the solution of Newton’s equation which gives the trajectory of a particle, the
solutions of the Schrödinger equation gives the wave functions of the particle
that carry information about the wave behavior associated with the particle.
The wave function  (psi) corresponding to the particle, gives the
information about the particle’s wave like behavior. This wave function is
complex in nature.

Setup Time-Independent Schrödinger’s Equation for a particle:

In quantum mechanics, the wave function ψ (psi) corresponding to the
particle, gives the information about the particle’s wave like behavior. This
wave function ψ corresponds to the wave variable ‘y’ of wave motion in
general. However, ψ , unlike ‘y’ is not itself a measurable quantity and hence
the wave function is complex in nature.
The wave function ψ for a freely moving particle in the +x direction is given
by
-i (t kx )
ψ(x, t ) = Ae (1)
where A is the amplitude of the wave traveling in the +x direction.
But w = 2 πγ = 2π(E / h ) (since E = h γ ) and

2π 2 πp h
k= = ( Acc. to deBrolglie equation :  )
λ h p

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Where E is total energy and p is the momentum of the particle. By

substituting these values in equation (1),
2
- i ( Et - Px )
ψ(x, t ) = Ae h
(2)
This equation describes the wave equivalent of an unrestricted particle of
total energy E and momentum p moving in the +x direction which is just as
equation y = Ae i (t  kx ) a harmonic displacement wave moving freely along a
stretched string.
Differentiate the equation (2) w.r.t. ‘x’ we get,

∂ -
2
i ( Et - Px )  2 
= Ae h
 -i  .  p
∂x  h 
 2 
2 2
 2 - i ( Et - Px )
Again on differentiation: = Ae h
.i p
x 2  h 
 i 2 4 2  2 i

 . p
( Et Px)
= Ae 

 h 
2

 4 2 p 2 
=   .
 
2
h
 2  4 2 p 2 
Therefore +   . =0 (3)
x 2  h 2

If the particle is present in a potential field U , then the total energy E
of the non-relativistic particle is, E = K.E. + P.E
1 p2
The kinetic energy = mv 2 =
2 2m
2
p
∴E = +U
2m
or 2m(E – U) = p2

Substitute p2 value in the equation (3) then

 2 8 2 m
+ (E – U)  = 0
x 2 h2

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This equation does not contain time factor, hence it is known as the steady
state or time independent Schrödinger’s wave equation.
 2  2  2 2m
In 3- dimension + + + 2 (E – U)  = 0
x 2
y 2
z 2


2m
Or  2  + (E – U)  = 0
2

Time-Independent Schrödinger’s Equation for free particle:

A particle moves in a region where the force acting on the particle is zero is
called free particle. A free particle possesses only kinetic energy and its
potential energy U = 0, hence the Schrödinger wave equation for a free
2m
particle is ∇ 2 ψ + Eψ = 0
2
(Ex.for free particles: electrons released during photoelectric emission,
thermionic emission).

Application of Schrödinger wave equation for a particle in one

dimensional potential well of infinite height:
Consider a particle of mass m and energy E moving freely in a one-
dimensional box of infinite height along X direction in the region between
x  0 to x  a i.e., the particle is trapped entirely in the box as shown in the
figure. The walls of the box are assumed to be perfectly rigid and therefore
the particle is bound within the limits x  0 to x  a .

The potential energy associated with the particle can

 m be expressed as,
U ( x)  0 0  x  a (inside the box)
x=0 x=a X-axis  x  0, x  a (out side the box)

Consider the time independent Schrödinger equation, i.e.

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 2  8 2 m 
 E  U   0 (1)
x 2  h 2 

Inside the box, the potential U = 0 and hence the Schrödinger equation
becomes,

d 2  8 2 m 
  E  0 (3)
dx 2  h 2 

d 2
Or 2
 K 2  0 (4)
dx
8 2 m
Where K 2  E (5)
h2
The general solution of equation (4) is given by,
  C[cos Kx ]  D[sin Kx ] (6)

where C and D are the constants.

The constant values C and D can be found by applying the boundary
conditions of the problem. Here the particle is enclosed between two rigid
walls and we know that the particle cannot penetrate through the walls and
the particle always existing in between x =0 and x=a. Hence  (x) =0 at x=0
and  (x) =0 at x=a. These are the boundary conditions.
At x  0 , we have   0
hence equation (6) becomes,
0  C[Cos0]  D[ Sin 0]  C 0 (7)
Similarly, at x  a , we have   0 and also C=0 ;
hence equation (6) becomes,
0  C[CosKa]  D[ SinKa ] (8)
D[ SinKa ]  0 (9)
But D  0 since, if D =0, the entire wave function will be zero. Which
means no particle exist but it is not true.
 Sin ( Ka)  0
 Ka  n , with n  0,1,2,3.., (10)

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The quantity n in equation (10) is called as the principle quantum

number and can be zero or a positive integer.
n
therefore, K (11)
a
Substitute K and C values in equation (6), then the wave function
  n  
 (x) given as,  n x   D  Sin  x (12)
  a  
The constant D can be determined by applying the normalized
condition i.e.
xa 2


x 0
n dV  1 (13)

Substitute the  n (x) from equation (12), we have,

 2  n  
a

D Sin  a  xdx  1 (14)

2

0    

We know that Sin 2 ( ) 

1
1  Cos(2 )  and hence the above integral can
2
be written as,

D2   2n  
a a

 dx   Cos  xdx  1 (15)

2 0 0  a  

D2  a  a  2nx  
a

 x0    Sin    1 (16)

2   2n  a  0 

D2   a   2na  
  a0   Sin   0  1 (17)
2   2n   a  

D2  
Sin2n   1
a
  a  (18)
2 2n 
But, Sin2n   0 ,

D2a 2
 1  D (19)
2 a
Substituting this in equation (12)

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2   n  
 n x   Sin  x (20)
a   a  
This is the wave function of a particle enclosed in potential well of
infinite height.
Expression for energy of a particle in an infinitely depth potential
well
Consider the equation (5) and (11), i.e.
8 2 m
K 
2
E (A)
h2
n n 2 2
K or K  2
2
(B)
a a
Compare equations(A) and (B)
n 2 2 8 2 m
= E
a2 h2
n2h2
 En  where n= 1,2,3,…… (C)
8ma 2
In equation (C) the value of n  0 for the particle energy E is not
allowed, since, when n becomes equal to zero, then  n  0 which means that

particle is not present inside the box but it is not true. Hence the lowest value
of n is equal to one ( n  1) and the lowest energy of the particle corresponding
to n  1state of the particle is called the zero point energy or ground state
energy and is given by,
h2
E0 
8ma 2
All the energy states of the particle corresponding to n  1are called as
the excited states. We see from this result and equation (C) that if E0 is the

ground state energy for the particle in a one dimensional potential of infinite
height, then the only allowed energy states for the particle are E0 , 4E0 , 9E 0 ,

16E 0 etc.,

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Further from equation (C), it is clear that, inside an infinitely deep

potential box or well, the particle can have discrete set of energy values.
Thus energy of a particle confined to a rigid box is quantized.
The normalized wave functions 1 , 2 , 3 , etc together with probability

densities  1 ,  2 ,  3 , ….. are shown in figure:

2 2 2

Conclusions:
1. A trapped particle cannot have arbitrary energy, as a free particle can.
The fact of its confinement, leads to restriction on its wave function
that allow the particle to have only certain specific energies. These
energies depend on mass of the particle and on the details of how
particle is trapped.
2. A trapped particle cannot have zero energy, since de-Broglie
wavelength of the particle is λ = h / p = h / mv . A speed V=0 means an
infinite wavelength. But there is no way to reconcile an infinite
wavelength with a trapped particle. So the particle must have at least
some minimum kinetic energy. The exclusion of E=0 for trapped
particle and to have a set of discrete values have no counterpart in
classical physics. The lowest value of the energy obtained in the
trapped potential well is called zero point energy.

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Wave Function and its significance:

In quantum mechanics the wave function is used to describe the
quantum system. In matter waves the quantity that varies periodically
is called ‘wave function  ’. The wave function associated with the matter

waves has no direct physical significance. It is not an observable quantity.

But the value of the wave function is related to the probability of finding the
particle at a given place at a given time. The square of the absolute
magnitude of the wave function of the particle evaluated at particular time at
a particular place is proportional to the probability of finding the particle at
that place at that instance.

i.e. Probability density P =  = * 

2

The probability of finding the particle in a volume element dV is then

 dV. The quantity P(r,t)dV when integrated from   to  must then be

2

the total probability, which is equal to unity.




2
i.e. dV =1. This equation is called normalized condition and a


wave function that obeys the equation is said to be normalized.


2
If dV =0, it indicates that particle does not exist.

Further the wave function  must be single value and finite, since

the probability can have only one value at a particular place and time. Since
the probability can have any value from zero and one, the wave function and
its derivatives must be continuous.

The characteristics of waves functions:

1.  must be finite, single value and continuous everywhere.

  
2. must be finite, single value and continuous everywhere.
x y z

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3.  must be normalized.

Eigen Values, Eigen Functions:

A system is defined by its energy, momentum, position, etc. Once
wave function  x, y, z, t  corresponding to a system knows, the state of a
system can be determined. A wave function corresponding to a system will
change when the system changes its state.
In order to find x, y, z, t  , the Schrödinger wave equation has to be
solved. But it is second order differential equation and hence it has several
solutions. However, all of them can not be correct wave function.
To be an acceptable wave function, it has to satisfy the following
conditions:
(1) The wave function  x, y, z, t  must be single valued.

(2) The wave function  x, y, z, t  and its first derivatives must be
continuous.
(3) The wave function  x, y, z, t  must be finite everywhere.

(4) The wave function  x, y, z, t  must be normalizable.

Such acceptable wave functions  x, y, z, t  are called as Eigen

Functions.
By knowing the Eigen functions the Schrödinger equation can be
solved to obtain the Energy values corresponding to the system. These
values are called as Eigen Values. Because there are restricted Eigen
functions allowed for the system, there are only restricted set of Eigen values
corresponding to that system.
{Importance of the Schrödinger Equation
The Schrödinger equation, like Newton’s laws of motion is a
fundamental relationship. However, Newton’s laws agree with experimental
observations only for macroscopic system. The experiments have proved that
Newton’s laws are not completely valid, when applied to microscopic
systems.

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In comparison, the Schrödinger equation has been found to hold good

in both cases. However, Newton’s laws are considerably much easier to
apply than Schrödinger equation. But when Newton’s laws disagree when
applied to microscopic systems, Schrödinger equation must be used in spite
of its difficulties. }

Expectation Values

{Some questions in quantum contexts will yield exact answer, whereas, other can
only be answered in terms of a probability distribution. Example: If we ask what is the
energy of an electron in 1S orbit of hydrogen atom is -13.6eV. But, if we ask what is its
position, then answer is not definite. If we take large number of hydrogen atoms and
somehow measure the position of electrons in them simultaneously and average the results,
we get average position of the electron from the nucleus. The theoretical predicted value of
this average is known as expectation of the position. It is denoted as <x>}.
In quantum mechanics, the expectation value is the probabilistic expected value of
the result (measurement) of an experiment. It is not the most probable value of a
measurement; indeed the expectation value may have zero probability of occurring.
Let us consider a particle moving along the x-axis. The result of the measurement of

the position x is a continuous random variable. Consider a wave function Ψ (x, t), then, 
2
=

 *  value is a probability density (P) for the position observable and |𝛹(𝑥,𝑡)|2𝑑𝑥 is the
probability of finding the particle between x and x+dx at a time t. Thus, if a measurement of
position is repeated many times in an identical way on an identical particle in identical
circumstances, many possible outcomes are possible and the expectation value of these
outcomes is,

<x> = ∫−∞ 𝑥 𝑃 𝑑𝑥 , where P is the probability P =  = 

∞ 2 *

{ FOR REFERENCE:
If the position x1 measured by m1 times, x2 measured m2 times, x3
measured m3 times and so on, then the average of x is

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𝑚1𝑥1+𝑚2𝑥2+𝑚3𝑥3+ ………..𝑚𝑛𝑥𝑛) ∑𝑛
𝑖=1 𝑚𝑖𝑥𝑖 𝑚𝑖
<x> = = ∑𝑛
= ∑𝑛𝑖=1 𝑥𝑖( 𝑛 ) = ∑𝑛𝑖=1 𝑥𝑖 𝑃
𝑚1+𝑚2+𝑚3+⋯………..𝑚𝑛 𝑖=1 𝑚𝑖

Where P = (mi/n), the probability of occurrence of the value xi

[Just like probability of a coin is (1/2)]

If the variable is continuous instead of discrete, then in place summation we

can use integration, then <x> = ∫ 𝑥 𝑃 𝑑𝑥 }

Expectation value in operator notation:

An operator is a mathematical rule or procedure, which when applied to a

function, transforms it into a new function. Operator is denoted by 𝐴̂.

Ex: If A is an operator and  (x) is a function of x then, 𝐴̂  (x) = g(x), where g(x) is the
transformed function.
𝑑
{𝑑𝑥 𝑠𝑖𝑛(𝑥) = cos(x)

𝑑
is an operator, sin(x) is function; g(x) transformed function}
𝑑𝑥

Here, g(x) is different from  (x) .

In some cases, upon operating on a function gives a constant times the same wave function.
i.e. 𝐴̂  (x) = 𝜆 (x) where 𝜆 is constant. In such cases,  (x) is called Eigen function and
𝜆 is called Eigen value associated with  (x) , the equation is called Eigen value equation of
the operator.

𝑑2  8𝜋2 𝑚 (𝐸−𝑈) 
Ex: 𝑑𝑥 2
+ ℎ2
=0

ℎ2 𝑑2
OR [−
8𝜋2 𝑚 𝑑𝑥 2
+ 𝑈]  = E

𝐴̂  = E 

Operators in quantum mechanics play very important role. Each dynamical variable of the
motion of the system can be represented by a linear operator and the Eigen values of the
operator give the result of a precise measurement of the dynamic variable represented by
that operator.

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Expectation value in operator notation when a given system is in

a sate  , the average of a large number of independent measurements

of an observable corresponding to the operator 𝑨

̂ is

∫ 𝐴̂  𝑑𝑥
*

<A> =
∫  𝑑𝑥
*

For normalized wave function ∫  *  𝒅𝒙 = 𝟏

̂  𝒅𝒙
Hence, Expectation value of the observable is <A> = ∫  * 𝑨

General Rule for calculating the expectation value is

<Observable> = ∫  * {operator}  𝑑𝑥

Expectation value of observable quantity in terms of operator

1) Position ‘x’ and operator 𝑥̂

∞ ∞ ∞
<x> = ∫−∞  * 𝑥̂  𝑑𝑥 = ∫−∞  * 𝑥 ∗  𝑑𝑥 OR ∫−∞ 𝑥 𝑃 𝑑𝑥

2) Momentum ‘p’ and operator 𝑝̂

∞ ∞
<p> = ∫−∞  * 𝑝̂  𝑑𝑥 = ∫−∞  * 𝑝 𝑑𝑥

−𝑖ℎ 𝑑
Where momentum ‘p’ (from Schrodinger equation) : p =
2𝜋 𝑑𝑥

𝑑 -
2
i ( Et - Px )  2   2 
{For reference: = Ae h
 -i  .  p = .  -i  .  p
𝑑𝑥
 h   h 
−𝑖ℎ 𝑑
Or p= }
2𝜋 𝑑𝑥

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3) Kinetic energy ‘KE’ and its operator is

𝒑𝟐 𝑖 ℎ2 𝑑2
WKT KE = Therefore: KE operator is :
𝟐𝒎 4𝜋2 𝑑𝑥 2

Problem:

Find the expectation value of <x> of the position for a particle trapped in a
box of width ‘L’.

∞
<x> = ∫−∞  * 𝑥̂  𝑑𝑥

∞ ∞
= ∫−∞ 𝑥 .  *  𝑑𝑥 = ∫−∞ 𝑥 |𝜓|2 𝑑𝑥
2 𝐿 𝑛𝜋
= 𝐿 ∫0 𝑥 [𝑆𝑖𝑛2 ( 𝐿 ) 𝑥] 𝑑𝑥
𝟐𝒏𝝅𝒙 𝟐𝒏𝝅𝒙 𝑳
𝟐 𝒙𝟐 𝒙𝐬𝐢 𝐧( ) 𝒄𝒐𝒔 ( )
= 𝑳
[
𝟒
− 𝟒𝒏𝝅
𝑳
− 𝑳
𝒏𝝅 𝟐 ]
𝟖( )
𝑳 𝑳 𝟎
𝟐 𝑳𝟐
= [ ]
𝑳 𝟒

𝑳
=
𝟐

Quantum Mechanics
QUESTION BANK

1) State Heisenberg’s uncertainty principle. Show that electrons cannot exist within
the nucleus of an atom.
2) Explain by uncertainty principle why electron cannot exist inside the nucleus.
3) What are matter waves? Explain de Broglie hypothesis of matter waves.
4) Explain dual nature of matter and arrive at the concept of matter waves. Give an
account of nature and velocity of de Broglie waves.
5) What are matter waves? Deduce an expression for de Broglie wavelength and
mention different forms of de Broglie wavelength.
6) Explain group velocity and phase velocity.

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7) State and explain the Heisenberg’s uncertainty principle and mention its
significance.
8) What is wave function? Give its physical significance and mention its properties.
9) Setup one dimensional time independent Schrödinger wave equation for a moving
particle. Mention the properties of well behaved wave function.
10) Solve the Schrödinger wave equation for particles in one dimensional box of infinite
height and obtain the normalized wave equation.
11) What are Eigen functions and Eigen values? Mention physical significance of wave
function.
12) Show that the Eigen values are discrete for a particle in a box.
13) Solve the Schrödinger wave equation for a particle in one dimensional box of finite
height and discuss the solutions. Draw the nature of wave function and probability
density of a particle in the ground and first excited states.
14) For an electron in one dimensional potential well, discuss the solution of
Schrödinger equation, and hence show that the electrons energy is quantized.
15) By solving 1-D time independent Schrodinger equation, establish the concept of
energy quantization for a particle in a potential well of infinite hight and finite width.
16) Establish the energy quantization for a particle confined inside an infinitely deep
potential well of finite width.
17) What is expectation value in quantum mechanics? Represent expectation value for
position, momentum and kinetic energy of a particle moving along X-axis based on
operator method.
18) Show that the energy of microscopic particle confined in an infinite 1-D potential well
𝑛2ℎ2
of length ‘L’ is given by En = . Symbols have their usual meaning. In the above
8𝑚𝑎 2

situation, why the particle cannot have zero energy?

19) What is zero point energy? Obtain an expression for zero point energy for particle
confined in an infinite 1-D potential well of finite width.
20) By solving 1-D time independent Schrodinger equation, show that the energy of
particle trapped in an infinite 1-D potential well is directly proportional to square of
the principal quantum number.

Numerical Problems:
1. Calculate the energy of neutron in eV, if its de Broglie wavelength is 3x10-10m.
2. Calculate the de Broglie wavelength of an alpha particle accelerated through a
potential of 400 volts.

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3. Calculate the de Broglie wavelength of a proton whose kinetic energy is equal to 941
MeV.
4. An electron is bound in one dimensional potential well of width 0.28nm. find its
energy value in eV and de Broglie wavelength in second excited state.
5. An electron is confined or trapped to move between two rigid walls separated by
1nm.. Find the de Broglie wavelength and the corresponding energy for the electron
in the ground and first excited state
6. A 200g cricket ball travelling at a speed 100 km/hr and an electron is moving with a
speed 1x106m/s. The velocity is measured to an accuracy of 0.05%. Calculate the
uncertainty in position of each and interpret the result.
7. Calculate the de Broglie wavelength of a proton whose kinetic energy is equal to the rest
mass energy of the electron (i.e., mec2). Given mass of proton to be 1836 times that of
electron.
8. Find the de Broglie wavelength of (i) a bullet of mass 100g fired from the gun with a
velocity of 50m/s and (ii) an electron moving with velocity 107 m/s. Interpret the
result.
9. An electron has a speed of 4.8x105 m/s accurate to 0.012%. With what accuracy
position of the electron can be located.
10. The position and momentum of an electron with energy 1 keV are simultaneously

determined. If the inherent uncertainty in the measurement of its position is 1 Å, what

is the minimum percentage uncertainty in its momentum.
11. A spectral line of wavelength 5461 Å has a width of 10-4 Å. Determine the minimum
time spent by the electrons in the upper energy state during excitation and de-
excitation process.
12. Find the probability that a particle trapped in a box of length ‘L’ wide can be found
between 0.45L and 0.55L for the ground and first excited state. (Ans: 0.198, 0.0065)
13. An electron is confined to move in a 1-D potential well of width 5 Ao. Find the
quantized energy values in eV for the three lowest states. (1.5eV, 6eV, 13.5eV)
14. A particle is moving in one dimensional potential well of width 25 Ao. Assuming that

the particle is in its least state of energy, calculate the probability of finding the
particle in an interval of 5 Ao, at a distance of a/2, a/3 and also on the surface of the
wall. Where ‘a’ width of the potential.
15. An electron is bound in 1-D potential well of width 0.12 nm. Find the energy and its

corresponding deBroglie wavelength in ground state and first excited state. Draw the
nature of wave function and probability in these states.

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16. Compare the lowest three energy states for (i) an electron in the infinite potential well
of width 10Ao. (ii) a dust particle of mass 10-6 g moving in a well of width 1 mm.
Comment on the concept of quantisation.
17. What is the probability of finding a particle of mass m between x = L/4 and x = L/2 in
a 1-D box of length L? Assume the particle is in its least state of energy.

Problems on Quantum Mechanics

Matter waves
1. Calculate the de-Broglie wavelength of an electron moving with one tenth part of velocity
of light

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2. An automobile with a mass of 100g moves at a speed of about 50 km/hr and an electron
moves at a speed of about 6 x 106 ms-1. Find their de Broglie wavelength. Interpret the
results.

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Heisenberg Uncertain Principle

1. An electron has a speed of 4.8x105 m/s accurate to 0.012%. With what accuracy
position of the electron can be located.

2. A 200g cricket ball travelling at a speed of 100km/hr and an electron is moving with a
speed 1x106 m/s. The velocity is measured to an accuracy of 0.05%. Calculate the
uncertainty in position of each and interpret the result.

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3. The position and momentum of an electron with energy 1 keV are simultaneously
determined. If the inherent uncertainty in the measurement of its position is 1 Å, what
is the minimum percentage uncertainty in its momentum.

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4. A spectral line of wavelength 5461 Å has a width of 10-4 Å. Determine the minimum
time spent by the electrons in the upper energy state during excitation and de-
excitation process.

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5. An excited atom has an average lifetime of 10 -8s. During this period, it emits a photon
and returns to the ground state. What is the minimum uncertainty in the frequency of
this photon?

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Problems on Schrodinger wave equation

1. Find the probability of a particle in a box of width “L”, that can be found between x=0
and x=L/n; when it is in the nth state.

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2. A quantum particle confined in a box of width “a” is in its first excited state. What is
the probability of finding a particle over an interval of (a/2) marked symmetrically at
the center of the box.

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3. A particle is moving in one dimensional potential well of width 25 Ao. Assuming that the
particle is in its least state of energy, calculate the probability of finding the particle in an
interval of 5 Ao, at a distance of a/2, a/3 and also on the surface of the wall. Where ‘a’
width of the potential.

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4. An electron is bound in 1-D potential well of width 0.12 nm. Find the energy and its
corresponding deBrogliewavelength in ground state and first excited state. Draw the
nature of wave function and probability in these states.

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5. Compare the lowest three energy states for (i) an electron in the infinite potential well
of width 10Ao. (ii) a dust particle of mass 10-6 g moving in a well of width 1 mm.
Comment on the concept of quantisation.

Comments: For an electron, energy values are large and the energy difference between
successive levels is quite large. Hence, quantisation of energy plays significant role.
For dust particle, energy values are very less and close to zero and hence levels are very close
to each other. Hence, quantization for macroscopic bodies is not significant.

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