Module_3_Quantum Mechanics

Dr. Dhanoj Gupta

Department of Physics
SAS, VIT Vellore

VIT Vellore: 02/09/2024

 Content

Module:3 Elements of quantum mechanics 7 hours

Need for Quantum Mechanics: Idea of Quantization (Planck and Ei

nstein) - Compton effect (Qualitative) – de Broglie hypothesis - jus
tification of Bohr postulate - Davisson-Germer experiment - Wave
function and probability interpretation - Heisenberg uncertainty p
rinciple - Gedanken experiment (Heisenberg’s microscope) - Schrö
dinger wave equation (time dependent and time independent).
A little history behind origins of quantum mechanics…
• Theories on the nature of light (ca 400 BC):
- Plato (and also Euclid): light = “streamers” emitted by the eye
- Pythagoreans: light = fine particle emanating from luminous bodies
- Empedocles: light = high-speed wave
For more than 2000 years, people debated: is light a wave or particle?
• Newton (1700s) – light = stream of particles (“corpuscles”); Huygens = wave theory
• Young’s experiment (1800) – double-slit – showed interference of light,
so concluded, light must be a wave (recall earlier, only waves interfere,
particles do not).
• Wave theory supported by Maxwell (light =electromagnetic wave, carrying energy), and
Hertz’s demo with sparks from electric circuits

• Einstein (1905): light = wave and particle! Dual nature, e.g. , it travels with wave properties
but interacts with matter as a particle would.
• In fact, everything = wave and particle!
• Other key figures: Planck (quanta), de Broglie
and later, Schrödinger, Heisenberg 3
Quantum Mechanics

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 Classical Physics And Its Limitations
At the end of the 19th Century
Matter Electromagnetic radiation

Discrete particles Continuous waves

Energy, Momentum Frequency, Wavelength
Newtonian Classical Mechanics Maxwell’s Electromagnetic theory

At the Beginning of 20th century

Relativistic domain Microscopic domain

Speed comparable to that of light New concepts required to study
Einstein theory of Relativity how light interact with matter

challenges 5
Classical Physics Failed to Explain many phenomena as

ØStructure of atoms
• According to classical physics, Rotating mass
accelerates
• Accelerating charge emits radiation, lowering its
energy
• Lower energy à shorter radial distance
• Therefore, electron will collapse into nucleus.
• Instability of the atom, in contradiction to the observed
fact of the stability of the atom

Ø Double slit Experiment ØBlackbody Radiation

• The fact that the act of doing a measurement will
change the outcome of the result. ØPhotoelectric effect
• In principle we cannot say from which slit the
electrons go and give us the interference pattern. ØCompton effect
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 Blackbody Radiation
Ø A body that absorbs all radiations, incident upon it Incident
regardless of frequency is called Blackbody Light wave

Ø The radiation emitted by the blackbody is called the

blackbody radiation
In terms of Frequency

Classical theory does not fit the experimental data !!!!!!!!! 7

 The Rayleigh-Jeans Law
• The Rayleigh and Jeans formula to explain the blackbody radiation is given by

8pkT 2
u (n )dn = 3 n dn
c
• This equation agrees with experimental measurements for long wavelengths (low f
requencies) and fails at short wavelengths.
* It predicts an energy output that diverges towards infinity as wavelength decreases.
* This disagreement at short wavelengths is known as the ultraviolet catastrophe.

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 Max-Plank’s Theory and Hypothesis of Blackbody Radiation
Ø When you shine a light inside a black body it absorbs all radiation irrespective of its
wavelength or frequency that is the unique property of black body,

Ø So what happens now is that the atoms or oscillators in the black body get some vibrational
energies from the light that is given to it and the atoms inside the cavity start to
vibrate or oscillate, more the energy more vibrations and they are responsible for
the glow when you heat some metal.

Ø So classically vibrational energies emitted by atoms in a cavity or black body was

assumed to be continuous, that could not explain the experimental results,

Ø Planck proposed the vibrational energies of the atoms/oscillators are quantized and not continuous whi
ch could explain the experimental findings. The oscillator can absorb energy in multiples of small unit ca
lled quanta. This quantum of radiation is photon.

Ø The energy of a photon is directly proportional to the frequency of radiation emitted.

Ø Einstein further supported, implemented and modified the concept of quantized energy transfer in any
interaction to explain the photoelectric effect. He considers light consists of massless particles called
photons.

Ø Einstein assumed that the electromagnetic field itself was quantized and that light consists of energy bu
ndles, called light quanta or photons, each photon traveling with velocity c and energy hν
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Black body radiation spectrum and comparision
Rayleigh Jeans radiation law
8pkT 2
u (n )dn = 3 n dn
c

Wien’s radiation law

8𝜋ℎν! "#$/&'
𝑢(ν)𝑑ν = 𝑒 𝑑𝑣
𝑐!

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 Planck Quantization principle
Ultraviolet Catastrophe !!!
Planck Law (Quantum) Rayleigh Jeans Law
(Classical)
8𝜋𝜐 ! ℎ𝜐
≈ 8𝜋𝜐 !
𝑐" #$ 𝑘𝑇
𝑒 %& −1 𝑐"
For low frequencies, Planks law reduces to Rayleigh
Jeans law
!" !"
≈*+ ,-. #/≪&'
𝑒 #$ #%

For higher frequencies, Planks law reduces Wein's law

The energy density approaches zero in agreement with ex
periment.
!"
𝑒 ≈' ()* !"≫#$
#$

“Energy can only be transferred in discrete quantities.”

𝑬 = 𝒏𝒉𝝂 n = 1,2, 3…
n is the frequency of the energy
h is Planck’s constant, 6.626 x 10-34 J s.
Energy is not continuous
Energy is quantized Quanta of Energy 11
Plank’s Quantization Principle
The main points that establish the Plank’s law of radiation are

Ø An oscillator absorbs energy from the radiation field and delivers it back to the field
in quanta of 0, E, 2E…..etc, where E is the quantum of energy proportional to the
frequency ν of the oscillator.

Ø The number of oscillators emitting particular energy is given by the statistical distrib
ution law of Boltzmann

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Planck Quantization principle

In the quantum world, many quantities are

found only in certain minimum (elementary)
amounts, or integer multiples of those
elementary amount that is associated with
such a quantity is called quantum of that
quantity ( quanta is the plural).

For example, in a loose sense, US currency is

Quantized because the coin of least value is
the penny, or $0.01 coin, and all values of all
other coins and bills are restricted to integer
Multiples of that leas amount.

In other words, the currency quantum is

$0.01 and all greater amounts of currency
are of the form n($0.01 ), where n is always
a positive integer

For example you cannot hand someone

$0.755 = 75.5 ($0.01 )
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 Compton Effect
Compton Effect is the scattering of a photon by an electron (or any charged pa
rticle). It results in a decrease in frequency (or increase in wavelength) of the
photon (an X-ray or gamma ray photon)

Change in wavelength of scattered light is completely unexpected classically

Incident light wave oscillating electron Emitted light wave

frequency Same frequency and
Wave Model Prediction wavelength as incident wave

Photon model Prediction Treat light wave as a photon or particle

In 1923 Prof. A.H. Compton discovered that when a monochromatic beam of high frequency
X-rays is scattered by a substance, the scattered radiation contains two components: one having
lower frequency or greater wavelength (modified radiation) and the other having the same frequ
ency or wavelength (unmodified radiation). This phenomenon is known as Compton Effect.

Compton earned the 1927 Nobel Prize in Physics for this discovery.
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 Compton Effect

A short introduction to Relativistic formulae:

(1) Mass: When a particle is moving with a velocity v, which is comparable to speed of light (c
= 3x 108 m/s), its mass (m) does not remain constant and is given by
1
m = g m0 , where g =
2
1- v
c2

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Along x-axis

Along y-axis

16
From relativistic equations

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 For an electron, the value of
. Compton wavelength

lC = 2.426 ´10 -12 m = 2.426 pm

ℎ
λ, − λ = (1 − 𝑐𝑜𝑠𝜑)
𝑚- 𝑐

ℎ
∆λ = (1 − 𝑐𝑜𝑠𝜑)
𝑚- 𝑐

Take Home Message

Ø Compton scattering provides a convincing proof

of the particle nature of electromagnetic
radiation

Ø It indirectly also provides the evidences of

quantum theory and Special theory of relativity

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Numerical on Compton scattering

1) Find the change in wavelength of the scattered photon when it is scattered throu
gh an angle of 90 0 by a free electron ?

2)

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20
 Wave-Particle Duality of Light

In 1924 Einstein wrote:- “ There are therefore now two theories

of light, both indispensable, and … without any logical connection.”

Evidence for wave-nature of light

• Diffraction and interference

Evidence for particle-nature of light

• Photoelectric effect
• Compton effect

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 Matter Electromagnetic radiation

Discrete particles Continuous waves

Energy, Momentum Frequency, Wavelength

Newtonian Classical Mechanics Maxwell’s Electromagnetic theory

Momentum

Does that mean, It can also

It behaves also like a particle
behave like a wave ? ?
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 Matter Waves De Broglie

“If light energy has particle-like properties, does matter

have wave-like properties?”

Louis de Broglie postulated that ordinary matter can have

wave-like properties, with the wavelength λ related to momentum
p in the same way as for light

de Broglie relation h Planck’s constant

l=
de Broglie wavelength
p
𝑝 = 𝑚𝑣
wavelength depends on momentum

Prediction: We should see diffraction and interference of matter waves

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 Derivation
Expression of the wavelength associated with a material particle can be derived on
the analogy of radiation.

According to Planck’s hypothesis, the energy of a photon of frequency 𝜈 is given

by

According to Einstein’s mass-energy relation

Comparing the above two equations, we get

de Broglie postulated that “photons have

both wave and particle characteristics, pe
rhaps all forms of matter have both prope
rties”.

where 𝑝 = 𝑚𝑣 is the momentum of the particle. This equation is called the de

Broglie waves for the matter particles. 24
25
26
 de-Broglie Wavelength Of An Electron And
Everyday Objects
De- Broglie wavelength of an electron of mass m and charge e accelerated by a V
volt is
* 234
𝑚𝑣 2 = 𝑒𝑉 𝑜𝑟, 𝑣 =
2 5
# # # *2.28
𝜆= = = = Å
6 5$ 2345 4
𝑖𝑓 𝑉 = 100 𝑣𝑜𝑙𝑡, 𝑡ℎ𝑒𝑛
𝜆 = 1.226 Å = 1.226 ×10"*1 𝑚
De- Broglie wavelength of a 50 kg person travelling at 15 m/s
So, wave-like properties not
# # 8.828×*1&'( :;
𝜆= = = = 8.835×10"!> 𝑚 observed for everyday
6 5$ <1&=×*<5/;
macroscopic objects

𝜆 ~ 𝑑𝑖𝑚𝑒𝑛𝑠𝑖𝑜𝑛 𝑜𝑓 𝑡ℎ𝑒 𝑜𝑏𝑗𝑒𝑐𝑡

What about our electrons, with λ~ 10-10 – 10-11m……??

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Electron Diffraction….
 Davisson-Germer Experiment

A collimated beam of electron is produced by using electron gun.

Electron beam is incident on a target of nickel crystal. The electrons are scattered in
all direction by the regular arrays or atomic planes of crystal.

Intensity of the scattered electrons in a given direction is measured by allowing it to

enter in a collector, which can be moved along a circular scale.
v Classical Physics predicted the scattered electrons will emerge in all directions with only a
moderate dependence of their intensity on scattering angle and even less on the energy of
the primary electrons 28
 Davisson-Germer Experiment

v In the midst of their experiment, an accident occurred that allowed air to enter their
apparatus and oxidize the metal surface.
v To reduce the oxide to pure nickel, the target was baked in a hot oven. After this treatment,
the target was returned to the apparatus and the measurement resumed.
v Now the results were very different, instead of continuous variation of scattered electron
the intensity with angle, distinct maxima, and minima were observed whose position
depended upon the electron energy.

Two questions come to mind immediately:

What is the reason for this new effect ?
Why it did not appear until after the nickel target was baked ?

v The heating of the block of nickel at high temperatures causes the many small individual
crystals of which it is normally composed to form into a single large crystal, all of whose
atoms are arranged in a regular lattice.
v Hence electron waves being diffracted were treated much like x-rays are diffracted by planes
of atoms in a crystal. 29
 Bragg’s diffraction
From X-ray analysis using Braggs equation, they obtain the wavelength of the
electron using the experimental results.

Diffraction of electron beams

for different applied voltages

De Broglie’s hypothesis suggested that

Electron waves were being diffracted
by the target, much as X-rays are
=
diffracted by planes of atoms in a Crystal 5
0
o

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 Bragg’s diffraction:
The scattering at 𝜑 = 50) is due to the diffraction of electron by the atomic planes of the nick
el crystal, which are arranged in regular manner.

The each plane of the crystal is acting as Bragg’s plane.

Let 𝑎 = 2.15 Å and 𝑑 be the inter-atomic distance and inter-planer spacing respectively.

By using Bragg’s law, 𝟐𝒅 𝐬𝐢𝐧 𝜽 = 𝒏𝝀, where 𝜃 is the glancing angle.

From figure, 𝜃 + 𝜑 + 𝜃 = 2𝜃 + 𝜑 = 180) .

If scattering angle 𝜑 = 50) , then 𝜃 = 65) .
𝑑 = 0.91 Å for nickel crystal
=
Substituting 𝜃 and 𝑑 in Bragg’s equation
for first order diffraction
5
0
o

𝜆 = 2𝑑 sin 𝜃 = 2×0.91 Å sin 65- = 1.65 Å

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 Diffraction of electron beams
for different applied voltages

A bump begins to appear in the curve for 𝑉 = 44 𝑣𝑜𝑙𝑡𝑠.

With increasing potential, the bump moves upward, and becomes more prominent in the curve for
𝑉 = 54 𝑣𝑜𝑙𝑡𝑠 at 𝜑 = 50) i.e., electron beam is suffering maximum at 𝑉 = 54 𝑣𝑜𝑙𝑡𝑠.

Thus, for 𝑉 = 54 𝑣𝑜𝑙𝑡𝑠, the de Broglie wavelength of the electron is

According to de Broglie, the wavelength associated with electron accelerated through a

potential V is given by

The wavelength derived from two approaches show an excellent agreement Thus, the Davisson
-Germer experiments provides a direct verification of wave nature of electron. 32
33
Ø Sound waves and waves on a string are described by equations of
Newtonian Mechanics

Ø Light waves are described by Maxwell's equation

Ø Matter waves are described by Schrodinger equations 34

 Wave Function:
Ø A wave function is a complex function which contains all the information about a q
uantum system and from which all the dynamical physical quantities such as linear
momentum, angular momentum and energy of the system can be computed.

Ø The value of the wave function associated with a moving body at any point (x,y,z) in
space at any time (t) is related to the probability of finding the body there at that ti
me.

Ø Since the magnitude of ψ oscillates between positive and negative values, the wave
function ψ has no physical significance as probability of finding the particle at any p
lace at any instant cannot be negative.
2
However
y is always positive and thus is physically significant. It
gives the probability density i.e.
2
y dxdydx gives the probability of finding the particle at a time t in the
volume element dxdydz in space.

ANYONE WHO IS NOT SHOCKED BY QUANTUM THEORY HAS NOT UNDERSTOOD IT !! - N. BOHR 35
Being a complex function, the wave function ψ can be written as

2
y = A + iB, y = yy * = ( A + iB)( A - iB) = A2 + B2

Normalization: If we integrate over the entire space, we are certain that the
particle is somewhere in it. Thus the total probability of finding the particle
somewhere in the space must be equal to 1.
i.e.,
+¥

òy dxdydz = 1 Þ ò y dxdydz = 1
2 2

all space -¥

This condition is called the normalization condition and the wave function
which satisfies this condition is called a normalized wave function.

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 For a wave function to be acceptable and physically meaningful
following conditions need to be satisfied:

(1) ψ must be continuous and single valued.

(2) The derivative of ψ must be continuous and single valued.

+¥

òy
(3) ψ must be normalizable i.e. 2
dxdydz = 1
.
-¥
For this condition to satisfy, ψ must go to zero as x ® ±¥, y ® ±¥, z ® ±¥
The wave function must be single valued. This means that for any given values of x and t ,Ψ(x,t) must have a
unique value. This is a way of guaranteeing that there is only a single value for the probability of the system b
eing in a given state.

A rapid change would mean that the derivative of the function was very large (either a very large positive or
negative number). In the limit of a step function, this would imply an infinite derivative. Since the momentu
m of the system is found using the momentum operator, which is a first order derivative, this would imply an
infinite momentum, which is not possible in a physically realistic system.

All first-order derivatives of the wave function must be continuous. Following the same reasoning as in condit
ion 3, a discontinuous first derivative would imply an infinite second derivative, and since the energy of the
system is found using the second derivative, a discontinuous first derivative would imply an infinite energy,
which again is not physically realistic.
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Acceptable or Not ??
Going to slide 20…..
Electromagnetic radiation
Matter

Discrete particles Continuous waves

Energy, Momentum Frequency, Wavelength
Newtonian Classical Mechanics Maxwell’s Electromagnetic theory
Wavelength Momentum

Does that mean, Matter can Radiation behaves also like

also behave like a wave ? a particle
Yes
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 Take Home Message
Light and matter exhibit wave-particle duality

Relation between wave and particle properties

given by the de Broglie relations h
l=
Evidence for particle properties of light p
Compton scattering, Photoelectric effect

Evidence for wave properties of matter

Electron diffraction, Davisson Germer Experiment

Consequence of wave-particle duality DxDpx ³ ! / 2

Heisenberg uncertainty principle
DyDp y ³ ! / 2
DzDpz ³ ! / 2
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