Quantum Physics & Applications M-1.

Quantum Mechanics

Quantum Mechanics MODULE-1

1.1 Introduction
There is no ambiguity about the concept of particle and wave in our day to day life. Classical
Physics treats particles and waves as separate components. Themechanics of particles and optics
of waves are two different disciplines each of which has their own principles based on
experimentalresults. Especially the wave nature of light is well established both theoretically and
experimentally. Some of the concepts like interference, diffraction, polarization etc, can be
adequately interpreted on the basis of wave theory of light.
The wave theory of light cannot explain the origin of radiation emitted by hot bodies of matter.
Also, this theory fails to explain photoelectric effect, Compton Effect etc. these things initiated
the requirement of a new physics. Max Planck proposed his famous Quantum theory of Radiation
in 1900 and it is the beginning of Modern Physics.
1.1.2 Planck'sQuantum Theory of Radiation
After the failure of Rayleigh - Jean's law Planck attempted to solve the black bodyproblem by
making following assumptions.
1 The interior of the cavity (black body) or cavity walls contain tiny oscillators and
each oscillator vibrates with its own frequency.
ii. During the vibration, oscillators cannot have continuous distribution of energy but
must have only specificenergies En given by
E,= nhy
where n =1,2,3,----, h= Planck's constant and v is the frequency of oscillation
When oscillator jumps from higher energy state to lower one, it emits radiation of
AE
frequency v= h
Basedon these assumptions Planck derived the expression for energy density of radiation. It is as
follows.
8Thc 1
U,d = 75 ehc/AKT
 M-1. Quantum Mechanics
Quantum Physics & Applications

Planck's radiation equation. It explains the black body spectrum completely.

This is
modified it andexplained the Photoelectriceffect. According to him EM enerov
Later on Einstein
PHOTON. The particle concept of light could
is emitted in the form of a tiny particle called
production problem also.
explain even Compton Effect and pair
concept)
1.2 Matter Waves (de-Broglie matter wave
Photoelectric effect establishes the particle
Planck'squantum theory and Einstein'sexplanation of de Broglie suggested
particle nature waves,
nature electromagnetic waves. After the success of
nature of electrons wasexperimentally
that there must be wave nature for a particle also (the wave
verified by Davisson and Germer)
De-Broglie hypothesis:
then it exhibits wave nature. This is known
When aparticle of mass m is moving with velocity v
with the moving particle is known as
as de-Broglie matter wave hypothesis. The wave associated
matter wave. Its wavelength is given by
h h
1=-=
p mv

It can be derived as follows

1.2.1 Expression for wavelength of matter wave by analogy

According to Einstein's mass energy relation
E = mc--- (1)
According to Planck's quantum theory of radiation
E= hy ---(2)
From Eq (1)and Eq (2) we get
mc' = hv
hv
mC =
C

C
Put mc=p momentum and - = wavelength

P=

h
2=

This is the expression for wavelength. For aparticle of mass mmoving with velocity vwe can
Write

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Quantum Physics & Applications M-1. Quantum Mechanics

1.2.2 Expression for de-Broglie wavelength of a free particle in terms kinetic energy
Eor afree particle the totalenergy is same as its kinetic energy (because potential energy is zero)
and is given by
E= ½ mv': 'm' is mass and v is velocity of particle.
This equation can berewritten as

E= m'y' 1.e., p=/2mE

2m

p |2=
W2mE
This is the expression for de-Broglie wavelength in ternms of kinetic energy.
1.2.3 Expression for de-Broglie wavelength of electron accelerated by some potential
Consider an electron accelerated by a potential of V' volts. The work done on the electron is
eV", where 'e' is the charge of electron. Thework done is converted into kinetic energy (1/2
m'v).
1
i.e -my =eV

i.e. -m'y' =eV

2m

1
1.e. -p´=eV or p= V2meV (becausep= mv)
2m
h h
31=
V2meV
Substituting h=6.63x1034Js, m =9.1xl10kg ande= 1.6xl10C, we get
12.26 o 1.226
2 A nm

Ihis is the expression for de-Broglie wavelength of electron in terms of accelerating voltage V
Quantum Physics & Applications M-1. Quantum Mechanics

NOTE:

Ingeneral, the de-Broglic wavelength hof acharged particle of mass m and charge q, accelerated
by a potential of V volts is
h

J2mqv
For a thermally accelerated particle
h
A=
V3mkT
1.2.4 Characteristic properties of Matter waves
1. Mater waves are produced by moving particles. Hence they are neither electromagnetic
nor acoustic in nature
11. They can travel in vacuum. Presence or absence of material medium does not affect their
behaviour
ii. Matter wave is associated with a periodic variable called wave function. It represents the
probability of finding the particle at given (%,1)
iv. The amplitude of a matter wave in a particular region represents the maximum probability
of finding the particle
V Matter waves are associated with both neutral particles and charged particles.
vi. Matter waves are associated with two velocities namely phase velocity (Vph) and group
velocity (v
vii. Phase velocity is greater than speed of light. Hence it does not carry physical significance
Viii. The particle's position, momentunm and other parameters can be better explained by
matter waves associated with them. Hence matter waves are treated as guiding
waves".
1.2.5 Phase velocity (Vph) and group velocity (V)
A progressive wave is given by
y(x, t) = A
sin (wt kx + ).
Here o is the phase term.
The velocity with which this wavepropagate in an isotropic
medium is known as phase
velocity. Itis given by
V=
k
It represents the velocity at which phase of any one
frequency component of the wave travels.

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Quantum Physics & Applications M-1. Quantum Mechanics

In the given wave A and B are two points on the wave separated by distance 2. and having same
phase of vibration and the time taken by the energy reach B from A is T. Hence
A B

V=
2rt/k
T

V=
k

Aparticle in motion is represented in the form of wave packet or wavegroup. Thistype of wave
group is formed when two or more waves of slightly different wavelength and frequency
superimpose (like in the case of beats).
The velocity with which a wave group formed due to superposition of two or mnore individual
waves travels is known as group velocity (v).
dw
dk

The following fig represent the superposition of two waves of slightly different frequency and
formation of a wave group. The wave group travels with group velocity

wave grop

Relation between phase velocity and group velocity:

Vg = Vph -
duph
da

Relation between group velocity and particle velocity:

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Quantum Physics & Applications M-1. Quantum Mechanics

The de Broglie wave group associated with a moving body travels with the same velocity as the
body (V,).
Relation between group velocity, phase velocity and particle velocity:

It is very clear that there all the particles travel with speed less than speed oflight (v, <c). Hence
according to this relation vph >c. This result do not have any physical significance because in
matter waves motion of the wave group corresponds to motion of the body, not the individual
waves that make up the group.
1.2.6 Significance of the Wave group
Wave group of matter waves represents the particle motion since its velocity is same as velocity
of the particle. It is a representative of moving particle. The particle can be located anywhere
within the group at a given time. The narrower its wave group, the more precisely particle position
can be specified. In the following figures, the position measurement is accurate in the case of
Fig.1 than in [Link] the other hand wider wave group (Fig.2) has a clearly defined wavelength.
The momentum that corresponds to this wavelength is more accurate.

Fig-1 Fig-2

1.2.7 Principle of complementarity

One of the milestones of quantum mechanics is Bohr's complementarity principle. It states that
A single quantum can exhibit aparticle-likeor a wave-like behaviour, but never both at the same
time. This means that we need distinct experimental arrangements in order to measure the particle
or the wave nature of uphysical system.
Explanation:
We all know that particle has got its own characteristics such as position, momentum, KE etc.
Similarly wave has its own characteristics like wavelength, frequency, amplitude, phase etc.
Imagine one experiment conducted to measure the particle nature of the matter. It is obvious that,
during this experiment, there should not be any errors in the position and the time coordinates.
But momentum, energy and the wave natureof the matter arecompletely unknown. Similarly, if
an experiment is designed for measuring the wave nature of the particle, then the errors in the
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Quantum Physics & Applications M-1. Quantum Mechanics

measurement of the energyand the momentum will be zero, whereas the position and the time
coordinatesof the matter will be completely unknown.
From this we can conclude that, when importance is given to the particle nature its wave nature
issuppressed and vice versa.
Theinability to observe the wave nature and the particle nature of the matter simultaneouslyis
known as the complementarity principle.
1.3Heisenberg uncertainty principle
From the Significance of wave group it is clear that we cannot know both the position and
momentum of the particle exactly at the same time from a given wave group. If importance is
given to the precise measurenment of position of the particle then there will be error in its
momentum and vice versa. Thus we have an uncertainty in the measurements. The uncertainty
principle states that
In the simultaneous measurements of both position and momentum of a particle, there is
always some error. The product of error in theposition and momentum is greater than or equal
to(h/4r).
If Ax is the error in position and Ap is that in momentum then
h
4T

Uncertainty principle is also expressed in terms of energy (E) and time interval (t) as

AEAt >
4T

If the width of the wave group (Ax) is small then position measurement is accurate but not the
momentum. If we reduce Ap somehow, a broader wave group is inevitable and hence Ax is large.
These uncertainties are not due to inadequate apparatus but to the imprecise character in nature
of the quantities involved.
1.3.1 Non-existence of electrons inside the atomicnucleus
lt iswell known that electrons do not exist inside the atomic [Link] same can be shown by
using Heisenberg uncertainty principle as follows.
Let us make an assumption that electrons exist inside the atomic nucleus. We know that the size
of nucleus is of the order of l0fim = 10x 10-m. For an electron to exist inside the nucleus,
uncertainty in itsposition Ax must not exceed size of the nucleus.
i.e Ax < 10x10:15m
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Quantum Physics &Applications M-1. Quantum Mechanics

i.e Ax is less than or equal to 10x10:m.

By Heisenberg uncertaintyprinciple we know that
h
[Link], > 4T ---(1)

Therefore, uncertainty in the measurement of momentum of electron inside the nucleus is

Ap, > [Link] ----(2)

Allowing maximum uncertainty for the position of electron i.e Ax =10x10m, we get
6.63 x 10-34
47t X 10 x 10-15

i.e. Ap, >0.5 x 10-2°kgms-1 - (3)

Therefore, uncertainty in the momentum is equal to or greater than 0.5 x 10-20 [Link], the
momentum of the electron p, must be at least equal to or greater than the order of uncertainty in
momentum.

i.e. p, > 0.5 x 10-2°kgmsl--- (4)

But. we know that the non-relativistic expression for energy in terms of its momentum p, is

E =
p -- (5)
2m

where m =9.lxl10'kg is the rest mass of electron.

By using equation (4) in equation (5), we may conclude that, if an electron exist inside the atomic
nucleus, its energy 'E must be such that

2m
(0.5 x 10-20y2
2 x9.1x10-31

E1372 x1011 J
E>85MeV
Quantum Physics & Applications [Link] Mechanics

It means for an electron to exist inside the atomic nucleus its KE

energy must be greater than or equal to 85MeV. But, electrons T34 MeV
emitted from nucleus in B-decay experiment have energies in
the range of 3 -4 MeV as shown in graph. This discrepancy
with respect to energy of electron indicates that electrons do
not exist inside the nucleus,.
1.3.2 Broadening of spectral lines
When an electron in the excited state E, undergoes transition No.
toone of the lower states, say E, the difference in the energy
is emitted as radiation. The emitted spectrum consists of a single line of frequency given by
V=
(Ez - E;)
h

But in reality the emitted radiation does not contain asingle line (ie, no single frequency). It is
extended over a range of frequencies. This is known as broadening of spectral line. There are
many reasons for broadening of the spectral line. They are
Naturalwidth broadening (uncertainty broadening or intrinsic broadening)
Doppler broadening
Lorentz broadening
Broadening due to extended fields
Explanation of natural width broadening using Uncertainty Principle
The inherent broadening of the spectral line due to uncertainty in the energy values and the
lifetime of the excited states is known as natural broadening.
When acollection of identical atoms undergoes the same electronic transition between two energy
levels, say from Ez to E, (Ez> Ei), it is expected that all atoms emit radiation ofthe same frequency
v. However, when this spectral line is observed with a highestresolution spectrometer, it is not
found to be infinitely sharp. It spans asmall range of frequencies (Av).This can be explained using
Heisenberg Uncertainty Principle. According to the principle

4T

Ithe lifetime At of the excited state is large, then the energy uncertaintyAE is small. But At
Cannot be infinite, because every excited state has a finite lifetime. Thus, there will always be
Some finite uncertainty in the energy of the excited state. This means the higher energy level E,
Quantum Physics &Applications M-1. Quantum Mechanics

1s "spread" over asmall energy interval of order AE. The ground state E on the other hand o
be considered tohave an infinite lifetime, and therefore its energy is sharply defined.
Consequently, the transitions may occur not only from the exact energy E, but also from slighty
shifted levels (E;+AE2) or (E; - AE/2) down to E,.The result is that the emitted photon
frequencies lie in anarrow range instead of asingle exact value. Therefore, the observed spectral
line has a finite width Av. It can be calculated as follows
Put E = hv ’ AE = hAv
-Ez + AE2
h AE -E
hAvAt E;- AE2
4T
1
47TAt
E1

1.3.3Physical significance of Heisenberg uncertainty principle

The physical significance of Heisenberg uncertainty principle is that, one should not think of the
exact position or an accurate value for momentum of a particle. Instead, one should think of
probability of finding the particle at a certain position or the most probable value for momentum
of the particle. This principle confirms the wave nature of matter.
1.4 Quantum Mechanics
Introduction

In Classical Mechanics (or Newtonian Mechanics) the future history of the particle is completely
determined by its initial position and momentum together with the forces that act upon it. In
everyday life these measurements holds good satisfactorily. However, because of uncertainty
principle, nature of an observable quantity is different in atomic and subatomic world. According
to this principle the initial state of a particle cannot be sufficiently accurate and hence certainty
about its future is impossible. This initiates a new approach in order to understand and to solve
problems involving atoms, molecules and matter in the solid state. Such an approach was
developed in 1925 by Schrodinger and others and it is called as "Quantum Mechanics:
According to Paul Dirrac 'the discovery of quantum mechanics is a total surprise which made i
possible to understand a large part of Physics and the whole of Chemistry '.
Like Newton's second law of motion is fundamental equation of Newtonian mechanics,
Sehrodinger's equation is for quantum mechanics and it contains a variable y called wave
function.

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Quantum Physics & Applications [Link] Mechanics
1.4.1Wave function (y)
Wave function is the mathematical function in quantum mechanics which is determined by the
physicalsituation of the system and, it is the function of coordinates of aparticle in space i.e x,
y, zand t. It is represented by the symbol y. It is given by
V(x, t) =Ae-i(uwt-kx)

or

P(x, t) = Aei(kx-wt)

Wave function y also contain all the possible information about the system. Hence it is also called
as state function. Such wave functions are obtained by solving Schrodinger wave equation. Once
the wave function is known for a particular system, then physical observable quantities like
energy, momentum, position etcassociated with that system can be determined.
1.4.2 Operator, Eigen function and Eigen values:
An operator is a kind of instruction operating on an arbitrary function and will change it to another
function. Some examples are
Integration and differentiation operator, square and square root operator, Del operator (Laplacian
operator ), etc.

Energy operator E = 8n'm @?

ih à
Momentum operator P = 2 Ox

Eigen functions: There are certain functions that will not change when operated upon by the
operator. These state functions are called the "Eigenfunctions"of this operator.
Eigen value: Application of an operator on each of its Eigen functions leads to a characteristic
number, which is a real number andit is called the Eigen value'"
ôf (*) = af (x)
Here Ois operator, f(s) is Eigen function and a is eigen value
d
Ex: If y= ex,Å=
dx

dx
-(e*) = ae4X = ay

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Quantum Physics &Applications M-1. Quantum Mechanics

Here y remains same even after it is operated by the operator A. Hence y is Eigen function and
a is Eigen value
Wave function as Eigen function:
Wave function possessing following properties is known as Eigen function and the energy value
obtained by solving Schrodinger wave equation using Eigen function is known as energy Eigen
value.

1 r must be contiuous and single valued everywhere.

Ot must be continuous and single valued everywhere.
11. and

iii. ymust be normalizable and it should not be o.

Ex. [Link] whether the fucntion sin3x is eigen function of operator or not.
dx2
If sofind the eigen value.
Here the function is sin3x and the operator is
d d
dyz (Sin 3x)= dx dx sin3x)
d
But
dx
(sin 3x) =3 cos 3x

dy2 (sin 3x) =:dx -(3cos 3x)

d2 (Sin 3x) = -9 sin 3x

We get the same function ie, sin 3x. Hence it is Eigen function and -9 is eigen value
1.4.3 Expectation value and its physical significance
Definition:

The expectation value is aprediction of the average value measured based on an infinite number
of measurements of the property. The expectation value of a quantunm state A represented by a
normalized wave function y is given by

-o
("ÂY)dr =| Â|dr
Here A represents position, momentum, energy etc, Ais the corresponding operator and dr
represents the small volumne.

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Quantum Physics & Applications M-1. Quantum Mechanics

Explanation:
In classical mechanics if abody is in motion and if we calculate its initial position,momentum
and energy then it is possible to determine them after t second by applying laws of motion. In
quantum mechanics the particle is completely specified by wave function y(x,t) which contains
all the information about the particle. This information is in the form of probabilities and not
specific numbers (Except for the quantized variables). In that case we make a large number of
measurements of a quantum system of a particle or measure aquantum system of a large number
of identical particles having samey. Then theweighted average of these measurements is known
as expectation value

Example:
Consider the example of 1" orbit radius of Hydrogen atom. We can either measure the radius of
single hydrogen atom several times or radius of 1" orbit of several Hydrogen atoms. We get many
values among them 0.53 A is the most probable value in both the cases. Hence the expected
outcome will be same, ie, 0.53 Á

Expectation value ofposition ((r):

Consider a large number of identical particles described by one single wave function y(x,t)
distributed along x axis. Let Niparticles are at x;, N2 are at x, N3 are at x; and so on. Then the
expectation value of their position (x) is given as
(x) =
Nxj + N,x, + NgX, + 2N;xi
N, + N, + Ng t
It is same as center of mass of distribution.

For asingle particle we replace N; by probability density | dx and summation by integration.

Then the above equation becomes
Sx|dx
(x)=
LIVdx
According to normalization condition, | d x = 1. Hence
- 00

x|4|dx
-0

In terms of operator we can write

(Y'Y)dx =
Similarly, for momentum

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Quantum Physics &Applications M-1. Quantum Mechanics

(P)=
(XY -00

Significance
Expectation value is aquantum equivalent of classical observable.
Expectation values provide the link between quantum theory and measurable classical
quantities.
Since expectation values corespond to average measurement results, they guide hoN
experimentaloutcomes should be interpreted.
1.4.4 Physical significance of wavefunction -Max Born Approximation
The wave function itself does not have direct physical meaning. It only represents the probability
of finding abody (or particle) at a given place and at a given time. It must lie between 0 and 1
and the maximum probability is analogous to amplitude of an ordinary wave. Amplitude of a
wave can be positive as well as negative but negative probability is meaningless. In order to
overcome this problem Max Born gave an approximation (called Born's apprOximation) as
follows.

The probability offinding aparticle described by the wave function yat apoint xand at time t is
proportional to probability density lyl at (a.t).
Probability density is equivalent to radiation density or intensity (I=A). Even if y is imaginary
and negative ly|' is always positive. Hence the probability density is more significant than
probability alone. It is obtained by multiplying the wave function by its complex conjugate.

1.4.5 Normalization

A graph of lp|v/s x is as shown. The probability of finding the particle is calculated by

calculating area under the curve. It is done by multiplying | ' at a point by small distance iv
(shaded area), ie lpl'dx. The total area gives the net probabilityand it must be equal to 1. This
is known as normalization in 1-d

Normalization in 1-dimension is

lp*ldx = 1
Normalization 3-d is

w'laV = 1 t

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Quantum Physics &
Applications [Link] Mechanics

The wave function that obeys this equation is said to be normalized

Normalization for a particle in space is

lp²ldV = 1

1.4.6 Probability density

Probability density is defined as probability of finding the particle per unit volume at the given
noint. In quantum mechanics, square of the wave function i.e w at apoint is nothing but
probability density.
1.4.7 Properties of wave function
When we solve Schrodinger equation for wave function, it gives several solutions for y. Allthese
solutions may not be correct wave functions. One has to cho0se those wave functions which
correspond meaningfully to a physical system. Such wave functions should have the following
properties.
1. Yshould be single valued everywhere.
2. Y should be finite everywhere.
3. Vand its first derivatives with its variables (x, y, z and t) should be continuous everywhere.
4. Yand its first derivatives with its variables should be continuous, because then only second
order derivative of Y with respect to itsvariables ( exist.
S. For bound states y² which represents probability should vanish at infinity. If y is acomplex
function, then "y'y'" must vanish at infinity. Here y' is the conjugate of y.
1.4.8 One dimensional time independent Schrodinger Wave equation
n progressive wave propagating along x-axis can be represented in the form of 2nd order
differential equation as follows.
d'y 1 d'y
dy2 y2 dt2
Where y is f(x,t).
Dimilarly a wave equation for amatter wave can be represented in terms of y as
1 d²y - (1)
dx2 y2 dt2
The solution for this equation
is
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Quantum Physics & Applications M-1. Quantum Mechanir.
/ = Aei(k*-ot)

where the symbols have their usual meanings.

dy
dt
= Aei(kx-@t)(-iw)

dt2 = Ael(kx-o(-iw)?=-wy
Hence equation (1) becomes
1
dy? z(-w'y)

-472
dy2 =(-k²y) =
1
dy2 =(-4n )2 - (2)
The total energy of a particle is
E =KE+ PE KE = E-PE

IfP is the momentum of the particle and V is its PE then

p2
KE =
2m
p2
=E- V
2m

p² = 2m(E - V)
h2
22 = 2m(E-)
1 2m
22 h2 -(E - V) - - - (3)
Substitute (3) in (2)
d'y 2m
dx2
= (-4ny) -(E - V)
d²y 8r'm
dx? h2 (E- Dy =0
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Quantum Physics &Applications M-1. Quantum Mechanics

This is 1-d time independent Schrodinger wave equation.

In 3-d

d'y d'y,
+
d²y +8r'm
dx2 dy2 dz2 h2 (E V)y = 0
8nm
h2 (E - V) = 0
For afree particle, PE V=0. Hence
81²m
h2 Ey =0
1.5 Applications of Schrodinger Wave equation
1.5.1 Particle in a box - Energy Eigen value and Eigen function
This is the simplest quantum mechanical problem taken to explain the application of Schrodinger
wave cquation. In this model a quantum particle (say electron) is assumed to be trapped in a 1
dimensional potentialwell of infinite height and width of a. its walls are extremely hard so that
the collision between wall and particle is perfectly elastic. The potential energy of the particle is
zero inside and infinity outside the well. Particle is restricted to move only along x-axis (i,e from
X=0 to x=a). The boundary conditions are as follows.
y=0andV = co outside the well.
11. and V = 0for 0 <Kx<a(inside the well).
iii. y= 0for x< 0 and x >a.
Case-1:

Outside the well, V=0, Hence Schrodinger wave equation

d'y + 8'm (E - Vy= 0
dx2 h2 (1)
becomes

d'y 8'm
dx2 h2 (E- o)y = 0
Ihe possible solution for this equation is y = 0. This means that the probability of finding the
particle and hence probability density outside the well is ZERO.

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Quantum Physics & Applications M-1. Quantum Mechanics

Case-2:
Inside the well, V=0 and hence equation (1) bccomes
d'y 8r²m
(E - 0) = 0
dx2 h2

Even though y= 0is a possible solution it cannot beconsidered for obvious reason.
8n²mE
Put k? = (2)
h2

+ ky = 0
dx2
This is a second order differential equation and itssolution is
= Ccos kx + D sin kx (3)
Put x = 0 and y= 0, we get
C=0.

Again, put x = aand y= 0, we get

0= 0 cos ka + D sin ka
Dsin ka = 0=D# 0 and sin ka = 0

. ka = sin(0) »ka =nN

.:. k =
a
(4)

Here n = 1,2,3,4...
From equation (2) and (3) we get
8mE 2

h2
n'h2
8ma2
This is the Energy Eigen value expression. Ifn =1, then we get ground state energy of the particle.
It is also called as ZERO POINT energy.
h2
EzERO 8ma?

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Quantum Physics & Applications M-1. Quantum Mechanics

SubstituteCand k in equation (3) we get

Un =Dsin()x (5)

This is the Eigen function expression

Normalization (To find D):
Consider

|koldx =1
2

(Dsin-x)
a
dx =1

D'sin? -dx = 1

2nTx
cos dx = 1 (* sin²e= (1- cos20)/2)

2nnx
dx - COS
de =1
a 2nTa
2nt
sin
a -sin o) =1
D2
2n (sin 2nr - sin 0| = 1
D2 a

2nTt (0-o) =1
D2
a =1
2

2
D=
Hence equation (5) becomes

Un = /2/a sin()x
This is the Normalized Eigen function.
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Quantum Physics & Applications M-1. Quantum Mechanics

L.5.2 Particle inside higher dimensions infinite potential well (Qualitative)

The case of particle in infinite potential wellcan be extended to 2-d and 3-d as well.
2-d potential well:
Consider a 2-d square potential well. The dimensions of the well are such that 0sxsaand ) <
ysa. Within this square wellthe potential energy V(x,y) =0 and the walls are still rigid. We
need two different integers n, and n, because the conditions are completely independent and can
be satisfied by any two different (or similar) values of these integers. The Eigen values of the total
energy are now given by
h2
En = &mg? (ní t n;)

Here both n, & n,takes the values1,2,3......

Let n, = ny = 1, then the ground state energy is

E11 = 4maz

It may be noted here that the ground state energy of the particle in 2-d well is 2 times larger than
for 1-d well. The reason for this is that the kinetic energy is contributed from both x and y
directions
Similarly the Eigen function for 2-d is
2
sin
Unan, (*,y) =sin(
3-d potential well:
Consider a3-dcubic potential well. The dimensions of thewell are such that 0 <x<a,0<vs
aand 0<zsa. Within this cubic wellthe poterntial energy V(x,y,z) =0. Now we need three
different integers n, n, and n, The energy Eigen value is
h2
En = 8ma? "i tn; + n2)
Onlythe ground state has one wave function and no other states has this because only for the
ground statewe can write n. ;= n, =n, =1, (not for higher states). Hence the ground state and the
energy level are said to be non-degenerate.
For first excited state n, h, and n, can take three different combinations namely (2,1,1), (1,2,1)
and (1,1,2). Accordingly there exists 3 different wave functions. These wave functions and
corresponding energy Eigen values are said to be degenerate
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Quantum Physics & Applications M-1. Quantum Mechanics

1.5.3Eigen functions, energy Eigen values and probability densities for a particle in a box:
Consider a particle present in 1-dimentionalpotential wellof infinite height and finite width a. its
Eigen function and eigen value, in general, are given by
Un = V2/a sin()x
and

n²h2
En = 8ma?
Case-1:

Put n =1, then we get ground state energy as

h2
Eo = 8ma2

The eigen function becomes

Ui=2/a sin()x
(i) Put x =0, 1 =0and 0
(ii) Put x =a/2, sin
2 and i = 2/a
(ii) Put x =a, y, = 0 and i= 0
Case-2:
Put n 2, we get
E = 4Eo
The eigen function becomes
2T
, = /2/a sin()x
a

(i) Put x=0, #, = 0and lbi| = 0

(ii) Put x-a/4, =
and |3 = 2/a
a 4

(iii) Put x=a/2, = 0and p~| = 0

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Quantum Physics & Applications M-1. Quantum Mechanics

(iv) Put x=3a/4, sin 4

and ~ = 2/a

(v) Put -a, , =0and u5 0

The Eigen functions and probability densities are presented in the below diagrams for differens
quantum numbers. An interesting observation made from these diagrams is as follows.
At a particular place in the box the probability density differs for different quantum numbers (n)
For ex, at a/2, the particle has highest probability density in its least energy state (n=1)where as
in its first excited state the particle can never be seen at all. Moreover, the diagrams resemble the
stationary waves set up in stretched string. This shows that the same wave equation can be used
to explain the waves in a stretched string as wellas waves associated with moving particle.
wavefunctions probability
densities

n=3

n=2

n=1

From above equations it is clear that E,:E,:Es.... 1:4:9:.......It means that energy levels
are not equally spaced
1.5.4 Particle inside a finite potential well
In the case of infinite potential well it is assumed that the potential energies are infinite and the
walls are perfectly rigid. In reality there is no such kind of infinite potential well. However
potential wells of finite height do exist.
Consider apotential well of finite height Vand finite width a containing aparticle with potenta
energy zero and kinetic energy Emoving in 1-D as shown in fig (i). Let Vis the potential encr
outside the well such that E < V. As it strikes the walls of the well it bounces back and tonu
According toclassical mechanics itcannot enter into either region Ior region Il because Eis le
than V. But according to quantum mechanics it has certain probability of penetrating into
regions Iand III even though E<[Link] is explained in brief as follows.

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Quantum Physics & Applications M-1. Quantum Mechanics

K=0

The Schrodinger wave equation becomes

d²y +8n²m
dx2 h2 (EV =0 in region l& III (ie, outside the well)
d²y 8n'm
dx2 h2 (E - 0)y = 0 inregion II(ie, inside the well)
The solutions for these equations are
, = Ce ax for x< 0 (ie, in region I)
Vu =Ce -ax for x > a (ie, in region III)
Uy =Asin kx + B sin kx for 0<x<a (ie, in region II)
According to these solutions, the wave function is exponentially decreasing near the sides of the
well and remains same as that of infinite well within the well. These results are as shown in fig
(iü).Here the wavelength that fits the region I, II and II is slightly longer than that in infinite well
(of same width). Hence the corresponding particle momentum and energy are less. So, the energy
levels are lower (for each n value)than that of particle in infinite well.
In total, the particle is trapped in the welleven though there is a small probability to penetrate the
walls.

1.5.5 Quantum tunnelling

Consider a particle striking a potential barrier (or wall) of finite height V and finite widtha with
a kinetic energy E such that E<V. It has a finite probability of passing through the barrier and
emerging on the other side. This is known as tunnelling effect.
According toclassical Physics, tunnelling effect is an impossible phenomena. It is something like
a "person walking through a wall"! However the quantum mechanics allows this to happen
due to the wave nature of particles.

Even though the probability of tunnelling is too small, it is not zero. For example in alpha decay,
the alpha particle (of energy only few MeV) has to make 10% strikes in order to escape from the
nucleus whose potential energy is around 25 MeV.

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Quantum Physics & Applications M-1. Quantum Mechanics

Ex: Alpha particle decay, tunnelling diode, Scanning Tunnelling Microscope (STM), Josenk
Effect ete are the examples for tunnelling effect.

K=0

Note: Tunnelling effect depends on the height and width of the wall. If the height and width are
large then the tunnelling chance is very less.

Solved Numericals
1. Calculate the de-Broglie wavelength of an electron accelerated through p.d of 5000V
Given: V = 5000 V, =?
h
2=
V2meV
6.63 x 10-34
2=
V2x9.1x 10-31 x 1.6×10-19 x 5000
2=0.173 x 10-10m

2. Aparticle of mass 0.5 MeV/e' has kinetic energy 100 eV. Find its de-Broglie wavelengtn
where cis the velocity of light
Given: m =0.5 MeV/c', KE =100 eV, 2 =?
0.5 x 10 x 1.6 × 10-19
Mass m = 8.88 x 10-31 kg
(3 x 108)2
KE,E= 100 × 1.6 x 10-19 = 160 × 1019]
h
V2mE
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