Basic Quantum Physics

UNIT 1

FUNDAMENTALS OF QUANTUM PHYSICS BEHIND

COMPUTING

INTRODUCTION

Quantum theory is the theoretical basis of modern physics that explains the
behavior of matter and energy on the scale of atoms and subatomic particles / waves
where classical physics does not always apply due to wave-particle duality and the
uncertainty principle.

In 1900, physicist Max Planck presented his quantum theory to the German
Physical Society. Planck had sought to discover the reason that radiation from a
glowing body change in color from red, to orange, and, finally, to blue as its
temperature rises.

The Development of Quantum Theory

 In 1900, Planck made the assumption that energy was made of individual units,
or quanta.
 In 1905, Albert Einstein theorized that not just the energy, but the radiation itself
was quantized in the same manner.
 In 1924, Louis de Broglie proposed the wave nature of electrons and suggested
that all matter has wave properties. This concept is known as the de Broglie
hypothesis, an example of wave–particle duality, and forms a central part of the
theory of quantum mechanics.

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 Basic Quantum Physics

 In 1927, Werner Heisenberg proposed uncertainty principle. It states that the

more precisely the position of some particle is determined, the less precisely its
momentum can be known, and vice versa. The formal inequality relating
the standard deviation of position σx and the standard deviation of
momentum σp was derived by Earle Hesse Kennard later that year and
[3]

by Hermann Weyl in 1928

ℎ
𝑥 𝑦 ≥
4


where ħ is the reduced Planck constant, h/(2π).

ELECTROMAGNETIC WAVES

Electric and magnetic fields in an electromagnetic wave are perpendicular to

each other, and to the direction of propagation. The existence of electromagnetic
waves, the only familiar electromagnetic waves was the visible light waves. The
existence of ultraviolet and infrared waves was barely established. By the end of the
nineteenth century, X-rays and gamma rays had also been discovered. We now know
that, electromagnetic waves include visible light waves, X-rays, gamma rays, radio
waves, and microwaves, ultraviolet and infrared waves. The classification of
electromagnetic waves according to frequency is the electromagnetic spectrum.
There is no sharp division between one kind of wave and the next. The classification
is based roughly on how the waves are produced and/or detected.

The electric and magnetic fields Ex and By are perpendicular to each other, and
to the direction z of propagation. We can write Ex and By as follows:

Ex= E0 sin (kz–t )

By= B0 sin (kz–t )

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Here k is related to the wave length λ of the wave by the usual equation

2
 𝑘= 


Radio waves


Radio waves are produced by the accelerated motion of charges in conducting

wires. They are used in radio and television communication systems. They are
generally in the frequency range from 500 kHz to about 1000 MHz. The AM
(amplitude modulated) band is from 530 kHz to 1710 kHz. Higher frequencies upto
54 MHz are used for short wave bands. TV waves range from 54 MHz to 890 MHz.
The FM (frequency modulated) radio band extends from 88 MHz to 108 MHz.
Cellular phones use radio waves to transmit voice communication in the ultrahigh
frequency (UHF) band.

Microwaves

Microwaves (short-wavelength radio waves), with frequencies in the gigahertz

(GHz) range, are produced by special vacuum tubes (called klystrons, magnetrons
and Gunn diodes). Due to their short wavelengths, they are suitable for the radar
systems used in aircraft navigation. Radar also provides the basis for the speed guns
used to time fast balls, tennis serves, and automobiles. Microwave ovens are an
interesting domestic application of these waves. In such ovens, the frequency of the
microwaves is selected to match the resonant frequency of water molecules so that
energy from the waves is transferred efficiently to the kinetic energy of the
molecules. This raises the temperature of any food containing water.

Infrared waves

Infrared waves are produced by hot bodies and molecules. This band lies
adjacent to the low-frequency or long-wave length end of the visible spectrum.
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Basic Quantum Physics

Infrared waves are sometimes referred to as heat waves. This is because water
molecules present in most materials readily absorb infrared waves (many other
molecules, for example, CO2, NH3, also absorb infrared waves).

Visible rays

It is the most familiar form of electromagnetic waves. It is the part of the

spectrum that is detected by the human eye. It runs from about 4 × 1014 Hz to about
7 × 1014 Hz or a wavelength range of about 700 – 400 nm. Visible light emitted or
reflected from objects around us provides us information about the world. Our eyes
are sensitive to this range of wavelengths.

Ultraviolet rays

It covers wavelengths ranging from about 4 × 10–7 m (400 nm) down to

6 × 10–10m (0.6 nm). Ultraviolet (UV) radiation is produced by special lamps and
very hot bodies. The sun is an important source of ultraviolet light. But fortunately,
most of it is absorbed in the ozone layer in the atmosphere at an altitude of about
40 – 50 km. UV light in large quantities has harmful effects on humans. Exposure to
UV radiation induces the production of more melanin, causing tanning of the skin.
UV radiation is absorbed by ordinary glass. Hence, one cannot get tanned or sunburn
through glass windows.

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Basic Quantum Physics

Fig.1.1 Electromagnetic Spectrum

X-rays

Beyond the UV region of the electromagnetic spectrum lies the X-ray region.
We are familiar with X-rays because of its medical applications. It covers
wavelengths from about 10–8 m (10 nm) down to 10–13 m (10–4 nm). One common
way to generate X-rays is to bombard a metal target by high energy electrons. X-rays
are used as a diagnostic tool in medicine and as a treatment for certain forms of
cancer. Because X-rays damage or destroy living tissues and organisms, care must be
taken to avoid unnecessary or over exposure.

Gamma rays

They lie in the upper frequency range of the electromagnetic spectrum and
have wavelengths of from about 10–10m to less than 10–14m. This high frequency

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radiation is produced in nuclear reactions and also emitted by radioactive nuclei.

They are used in medicine to destroy cancer cells.

PHOTOELECTRIC EFFECT

Fig.1.2

J.J. Thomson, observed that when a light of certain frequency strikes the
surface of a metal, electrons are ejected. This phenomenon is known as photoelectric
effect and the ejected electrons are called photoelectrons.

A few metals, which are having low ionization energy like Cesium, show this
effect under the action of visible light but many more show it under the action of
more energetic ultraviolet light.

An evacuated tube contains two electrodes connected to a source of variable

voltage, with the metal plate whose surface is irradiated as the anode. Some of the
photoelectrons that emerge from this surface have enough energy to reach the
cathode despite its negative polarity, and they constitute the measured current. The
slower photoelectrons are repelled before they get to the cathode. When the voltage is

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Basic Quantum Physics

increased to a certain value V0, of the order of several volts, no more photoelectrons
arrive, as indicated by the current dropping to zero.

This extinction voltage (or also referred as stopping potential) corresponds to

the maximum photoelectron kinetic energy.

i.e., eVo = ½ mv2

The experimental findings are summarized as below:

 Electrons come out as soon as the light (of sufficient energy) strikes the metal
surface.

 The light of any frequency will not be able to cause ejection of electrons from a
metal surface. There is a minimum frequency, called the threshold (or critical)
frequency, which can just cause the ejection. This frequency varies with the
nature of the metal. The higher the frequency of the light, the more energy the
photoelectrons have. Blue light results in faster electrons than red light.

 Photoelectric current is increased with increase in intensity of light of same

frequency, if emission is permitted i.e., a bright light yields more
photoelectrons than a dim one of the same frequency, but the electron energies
remain the same.

Light must have stream of energy particles or quanta of energy (hv). Suppose,
the threshold frequency of light required to eject electrons from a metal is n0, when a
photon of light of this frequency strikes a metal it imparts its entire energy (hv0) to
the electron.

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Basic Quantum Physics

Fig.1.3

“This energy enables the electron to break away from the atom by
overcoming the attractive influence of the nucleus”. Thus each photon can eject
one electron. If the frequency of light is less than v0 there is no ejection of electron. If
the frequency of light is higher than v0 (let it be v), the photon of this light having
higher energy (hv), will impart some energy to the electron that is needed to remove
it from the atom. The excess energy would give a certain velocity (i.e, kinetic energy)
to the electron.

hv = hv0 + K.E

hv = hv0 + ½ mv2

½ mv2 = hv–hvo

Where, v = frequency of the incident light

v0 = threshold frequency

hv0 is the threshold energy (or) the work function denoted by Φ = hv 0 (minimum
energy of the photon to liberate electron). It is constant for particular metal and is
also equal to the ionization potential of gaseous atoms.

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The kinetic energy of the photoelectrons increases linearly with the frequency
of incident light. Thus, if the energy of the ejected electrons is plotted as a function of
frequency, it result in a straight line whose slope is equal to Planck’s constant ‘h’ and
whose intercept is hn0.

Fig.1.4

COMPTON SCATTERING

Photoelectric effect provides evidence that energy is quantized. In order to

establish the particle nature of radiation, it is necessary that photons must carry
momentum. In 1922, Arthur Compton studied the scattering of x-rays of known
frequency from graphite and looked at the recoil electrons and the scattered x-rays.
According to wave theory, when an electromagnetic wave of frequency is incident on
an atom, it would cause electrons to oscillate. The electrons would absorb energy
from the wave and re-radiate electromagnetic wave of a frequency𝑣𝑠 > 𝑣𝑜. The
frequency of scattered radiation would depend on the amount of energy absorbed
from the wave, i.e. on the intensity of incident radiation and the duration of the
exposure of electrons to the radiation and not on the frequency of the incident
radiation. Compton found that the wavelength of the scattered radiation does not
depend on the intensity of incident radiation but it depends on the angle of scattering
and the wavelength of the incident beam. The wavelength of the radiation scattered at
an angle  is given by

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Basic Quantum Physics
ℎ
𝑥 = 0 + (1 − 𝐶𝑜𝑠)
m 0C

Where m0 is the rest mass of the electron. The constant ℎ

is known as the Compton
𝑚0 C
wavelength of the electron and it has a value 0.0024nm.

The spectrum of radiation at an angle  consists of two peaks, one at 0 and the
other at 𝑥. The Compton effect can be explained by assuming that the incoming
radiation is a beam of particles with

The energy

𝐸 = ℎ 0

The momentum

ℎ
𝑝=
𝑚0𝑐

For energy momentum relation

𝐸2 = 𝑝2𝑐2 + 𝑚𝑐2

PHOTON

A photon is the smallest discrete amount or quantum of electromagnetic

radiation. It is the basic unit of all light.

Photons are always in motion and, in a vacuum, travel at a constant speed to all
observers of 2.998  108m/s. This is commonly referred to as the speed of light,
denoted by the letter c.

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Fig.1.5

As per Einstein’s light quantum theory, photons have energy equal to their
oscillation frequency times Planck’s constant. Einstein proved that light is a flow of
photons, the energy of these photons is the height of their oscillation frequency, and
the intensity of the light corresponds to the number of photons. Essentially, he
explained how a stream of photons can act both as a wave and particle.

Photon properties

The basic properties of photons are:

 Zero mass and rest energy and exist as moving particles.

 Elementary particles despite lacking rest mass.
 No electric charge.
 Stable.

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 Carry energy and momentum which are dependent on the frequency.

 Have interactions with other particles such as electrons, such as the Compton
effect.
 They can be destroyed or created by many natural processes, for instance when
radiation is absorbed or emitted.
 When in empty space, they travel at the speed of light.

WAVE-PARTICLE DUALITY OF RADIATION AND MATTER

The dual nature of matter and the dual nature of radiation were revolutionary
concepts of physics. In case of light some phenomenon like diffraction and
interference can be explained on the basis of its wave character. However, the certain
other phenomenon such as black body radiation and photoelectric effect can be
explained only on the basis of its particle nature. Thus, light is said to have a dual
character. Such studies on light were made by Einstein in 1905. Louis de Broglie, in
1924 extended the idea of photons to material particles such as electron and he
proposed that matter also has a dual character-as wave and as particle.

S. No. Radiation Material

Radiation spreads in the form of

1 Material shoots in straight line.
waves.

2 It has no mass. Material has mass.

3 Radiation can only be experienced. Material is Visible, it has volume etc.

Radiation has energy known as It has energy known as mechanical

4
radiation energy. energy.

5 Main representative of radiation is Main representative of material is

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light. electron.

Derivation of de-Broglie Equation

The wavelength of the wave associated with any material particle was calculated by
analogy with photon.

In case of photon, if it is assumed to have wave character, its energy is given by

E = hv …(i)

(According to the Planck’s quantum theory)

Where  frequency of the wave and ‘h’ is is Planck’s constant

If the photon is supposed to have particle character, its energy is given by

E = mc2 ….… (ii)

(according to Einstein’s equation)

where ‘m’ is the mass of photon, ‘c’ is the velocity of light.

By equating (i) and (ii)

hv = mc2

But v = c/λ

h c/λ = mc2

(or) λ = h /mc

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The above equation is applicable to material particle if the mass and velocity of
photon is replaced by the mass and velocity of material particle. Thus for any
material particle like electron.

λ = h/mv or λ = h/p

where mv = p is the momentum of the particle.

De-Broglie wave
De-Broglie first proposed that the light has both wave like and particle like
properties. Electrons can also have wave like properties. The De Broglie equation is
given by,

= ℎ
𝑚𝑣

Here, λ is the de-Broglie wavelength, h is the Planck's constant, and p is the

momentum.

For heavy particles which are having momentum, and can create a relation with
the plank's constant, those particles are associated the de Broglie wavelength.

This relationship between the wavelength and momentum holds good for all
types of matter, i.e. all matters exhibit the particle and wave nature properties.

De Broglie states that any particle should exhibit wave like nature and also
particle like nature. The particle velocity should be always equal the group velocity
of the corresponding wave.

The wave like nature of light is having two supportive experimental proofs as
suggested in the De Broglie hypothesis. The experimental proofs are

• The discrete atomic energy levels of the atom in the electronic structure.

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Basic Quantum Physics

• And the diffraction pattern of electrons from the crystal planes in solid materials.
The atomic energy levels, the electron waves can be analyzed as a constructive
interference pattern by using the Bohr model.

• Again, the wave nature of the electrons can be explained, by the particle in box
analysis in quantum mechanics. In this case, to explain the behavior of the
electron wave, we can use a box in which the electron is confined, and is having
the dimensions in the order of the size of an atom.

Physical interpretation of a wave function

A wave function of quantum mechanical system is some thing associated with

its wave nature. To arrive at results consistent with real time observations, we have
imposed several requirements on the wave function of a quantum mechanical
system. Wave function is a quantity which describe the particle. Wave function
must be single valued and continuous everywhere and it should approach to zero
as r is tending to infinity.
It is a mathematical function that describes some of the properties of the wave.
the shape of the wave is described by the sine function, and the amplitude describes
strength (intensity) of the wave. The wave function can be interpreted as ψ(r,t).

ψ = Asinθ

The probability of finding a particle at a positionx1<x>x2and time t

𝑥2
∫ |Ψ(𝑥)|2𝑑𝑥
𝑥1

OR
𝑥2
∫ ψ∗ ψ𝑑𝑥
𝑥1

The probability per unit length of finding the particle at the position r at
time t.ψ*(r,t) is complex conjugate of ψ(r,t)

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Requirements for An Acceptable Wavefunction

1. The wave function ψ must be continuous. All its partial derivatives

∂𝜓 ∂𝜓
must also be continuous (partial derivatives are( , etc. ) This
∂X ∂y
makes the wave function“smooth”.

2. The wave function ψ must be quadratically integrable. This means that

the integral ∫ψ*ψdτ must exist.
3. Since ∫ψ*ψdτ is the probability density, it must be single valued.
4. The wave functions must form an orthonormal set. This means that
• the wave functions must be normalized.
∞
∫−∞ 𝜓𝑖 ∗ 𝜓𝑖d𝑟 = 1

 the wave functions must be orthogonal.

∞
∫−∞ 𝜓𝑗 ∗ 𝜓𝑗d𝑟=0
∞
∫−∞ 𝜓𝑗 ∗ 𝜓𝑗d𝑟 =𝑖𝑗 where𝑖𝑗 = 1 𝑤ℎ𝑒𝑛𝑖 = 𝑗; 𝑖𝑗 = 0 𝑤ℎ𝑒𝑛𝑖 ≠ 𝑗

Δij is called Kronecker delta

5. The wave function must be finite everywhere.

6. The wave function must satisfy the boundary conditions of the

quantum mechanical system it represents.

HEISENBERG UNCERTAINTY PRINCIPLE

Uncertainty principle, also called Heisenberg uncertainty principle or

indeterminacy principle, statement, articulated (1927) by the German physicist
Werner Heisenberg, that the position and the velocity of an object cannot both be
measured exactly, at the same time, even in theory. The very concepts of exact
position and exact velocity together, in fact, have no meaning in nature.

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Basic Quantum Physics

The uncertainty principle is alternatively expressed in terms of a particle’s

momentum and position. The momentum of a particle is equal to the product of its
mass times its velocity. Thus, the product of the uncertainties in the momentum and
the position of a particle equals h/(4π) or more, where h is Planck’s constant, or about
6.6 × 10−34 joule-second). It is impossible to know the precise position and
momentum. This relationship also applies to energy and time, in that one cannot
measure the precise energy of a system in a finite amount of time. Uncertainties in
the products of “conjugate pairs” (momentum/position) and (energy/time) were
defined by Heisenberg as having a minimum value corresponding to Planck’s
constant divided by 4π. More clearly:

ℎ
Δ𝑝 ∗ Δ𝑥 ≥
4𝜋
ℎ
Δ𝑡 ∗ Δ𝐸 ≥
4𝜋
Where Δ refers to the uncertainty in that variable.

Qualitatively this principle states that “the order of magnitude of the product of
the uncertainties in the knowledge of two variables must be at least Planck’s constant
h”. Considering the position and momentum is the pair of physical variables, we
have

∆𝑝 ∆𝑥 ≈ ℎ ... (1)

where Δp is the uncertainty in determining the momentum and

Δx is the uncertainty in determining the position of the particle.

Similarly, we have

∆𝐸 ∆𝑡 ≈ ℎ ... (2)

ΔJ Δθ ≈ h ... (3)

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where ΔE and Δt are uncertainties in determining the energy and time while ΔJ and
Δθ uncertainties in determining the angular momentum and angle.

Applications of Uncertainty Principle

Eigenvalues and Eigen functions:

If there is a class of functions which, when operated by an operator α, are

merely multiplied by some constant λ, i.e., if

𝛼𝑓(𝑥) = λ f(x)

then the functions f(x) are called eigenfunctions of the operator α and the various
possible values λ are called eigenvalues of the operator.

For example, let us consider the function sin 4π. If it is operated by an operator
−𝑑2
, the result is
𝑑𝑥2

−𝑑2
(sin 4x) = 16 sin 4x
𝑑𝑥2
2
Thus sin 4x is eigen function and 16 is the eigenvalue of the operator −𝑑 . In
𝑑𝑥2
quantum mechanics, the allowed eigenfunctions are continuous, finite and single
valued.

Calculation of energy of particle in 1D box:

Consider a particle of mass ‘m’ moving along the x-axis between the two
rigid walls of the well with x = 0 and x = a.

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Fig.1.8 Particle in a box

When the force acting on the particle between the walls is zero, its potential
energy is constant in this region and it is duly taken to be zero. As the walls are
assumed to be rigid, the force acting on the particle abruptly increases from zero to
finite value at the boundaries and hence the potential energy of the particle becomes
infinitely large at x = 0 and x = a.

Thus, potential function V(x) is expressed as

V(x) = 0 for 0 < x < a

V(x) = ∞ for 0 ≥ x ≥ a

This potential function is known as square well potential.

The particle cannot move out of the box. Also, it cannot exist on the walls of
the box. So its wave function Ψ is 0 for x ≤ 0 and x ≥ a and for zero potential the
Schrodinger equation can be written as:
𝑑2 𝑊 2𝑚𝐸
+ 𝑇=0 ... (1)
𝑑𝑥2 ћ2

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Basic Quantum Physics
𝑑2 𝑊
+ 𝑘2𝑇 = 0 ... (2)
𝑑𝑥2
2𝑚𝐸
where 𝑘2 =
ћ2

The general solution of equation (2) is

𝑇(𝑥) = 𝐴 𝑠𝑖𝑛𝑘𝑥 + 𝐵 cos 𝑘𝑥 ... (3)

Applying the boundary conditions 𝑇(𝑥) = 0 at x = a and x = 0, one gets 𝑘 =

𝑛𝜋 where n = 1, 2, 3, ... and B = 0.
𝑎

Thus the wave function associated with the electron is:

𝑛𝜋𝑥
𝑇𝑛 = 𝐴 sin [ ] ... (4)
𝑎

𝑘 2ћ 2 𝑛 2ℎ 2 ... (5)
𝐸𝑛 = 2𝑚
= 8𝑚𝑎2

This equation gives the energy of the particle in the nth energy state.

Fig.1.9 Energy levels and wave functions

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Basic Quantum Physics

The particle in the box cannot possess any arbitrary amount of energy. Rather,
it can have discrete energy values specified by the equation (5). In other words, its
energy is quantized. Each value of En is called as Eigen value and the corresponding
Ψn is called Eigen function.

Eigenvalues and Eigen functions:

If there is a class of functions which, when operated by an operator α, are

merely multiplied by some constant λ, i.e., if

𝛼𝑓(𝑥) = λ f(x)

then the functions f(x) are called eigenfunctions of the operator α and the various
possible values λ are called eigenvalues of the operator.

For example, let us consider the function sin 4π. If it is operated by an operator
−𝑑2
, the result is
𝑑𝑥2

−𝑑2
(sin 4x) = 16 sin 4x
𝑑𝑥2
2
Thus sin 4x is eigen function and 16 is the eigenvalue of the operator −𝑑 . In
𝑑𝑥2
quantum mechanics, the allowed eigenfunctions are continuous, finite and single
valued.

SCHRÖDINGER WAVE EQUATION

Schrodinger wave equation describes the wave nature of a particle in

mathematical form. It is the basis equation of wave mechanics originally proposed by
Austrian Scientist Erwin Schrödinger.

Schroedinger connected the expression of De-Broglie wavelength with the

classical wave equation for a moving particle and obtained a new wave equation.

Forms of Schroedinger wave equation

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There are two forms of Schroedinger wave equation. They are

i) Time independent wave equation

ii) Time dependent wave equation

Schrodinger’s time independent wave equation (Stationary states)

According to De-Broglie’s hypothesis, a particle of mass m moving with

h
velocity v is always associated with a wave whose wavelength is given by λ = .
mv
If the particle has wave properties, then it is expected that there should be some sort
of wave equation to describe the behaviour of the particle.

The classical differential equation of wave system is

𝜕2𝑊 𝜕2 𝑊 𝜕2𝑊 1 𝜕2 𝑊 ... (1)

+ + =
𝜕𝑥2 𝜕𝑦2 𝜕𝑧2 𝑣2 𝜕𝑡2

where Ψ is wave displacement for De-Broglie’s waves at time t;

x,y,z are coordinates of the particle ; and v is wave velocity

Equation (1) may be rewritten as

1 𝜕2 𝑊
∇2𝑇 = ... (2)
𝑣2 𝜕𝑡2

𝜕2 𝜕2 𝜕2
where ∇2𝑇 = + + is Laplacian operator.
𝜕𝑥2 𝜕𝑦2 𝜕𝑧2

The solution of equation (2) gives the periodic displacement in terms of time t,

i.e. 𝑇 (𝑥, 𝑦, 𝑧, 𝑡) = 𝑇0(𝑥, 𝑦, 𝑧)𝑒−𝑖𝜔𝑡 ... (3)

where 𝑇0 is amplitude at the point considered . It is a function of position and not of

time (t).

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Differentiating equation (3) twice with respect to t, we get

𝜕𝑇
= −𝑖 𝜔 𝑇 𝑒−𝑖𝜔𝑡
𝜕𝑡 0

2𝑊
and 𝜕 = (−𝑖𝜔)(−𝑖𝜔)𝑇 𝑒𝑖𝜔𝑡 = 𝑖2𝜔2𝑇 𝑒−𝑖𝜔𝑡 ... (4)
𝜕𝑡2 0 0

= −𝜔2 𝑇 [ 𝑖2 = −1]

Substituting this in equation (2), we get

𝜔2
∇2𝑇 = − 𝑇 ... (5)
𝑣2

4𝜋2
or ∇ 2𝑇 + 𝑇=0 ... (6)
𝜆2

4𝜋2 𝑚2 𝑣2
∇2 𝑇 + 𝑇=0 ... (7)
ℎ2

If E is total energy of the particle, V is potential energy and 1 𝑚𝑣2 is kinetic energy,
2
then

E = P.E. + K.E.
1
i.e., E = V + 1 𝑚𝑣2 or 𝐸 − 𝑉 = 𝑚𝑣2
2 2

𝑚𝑣2 = 2(𝐸 − 𝑉)

Multiply m on both sides

or 𝑚2𝑣2 = 2𝑚 (𝐸 − 𝑉) ... (8)

Substituting equation (8) in equation (7) , we get

8𝜋2 𝑚
∇2 𝑇 + (𝐸 − 𝑉) 𝑇 = 0 ... (9)
ℎ2

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This 𝑇 is independent of time. This is the steady state (stationary state) form
of Schroedinger equation. The equation is known as Schrodinger’s time
independent wave equation.

If we consider one-dimensional motion, i.e., particle moving along x-direction

only, then Schrodinger’s equation (9) reduces to
𝑑2 𝑊(𝑥) 8𝜋2𝑚
+ (𝐸 − 𝑉)𝑇(𝑥) = 0 ... (10)
𝑑𝑥2 ℎ2

ℎ
Taking ћ = (where ћ is a reduced Planck’s constant) in equation (9),
2𝜋
Schrodinger’s wave equation may be rewritten as
2𝑚
∇2𝑇 + (𝐸 − 𝑉) 𝑇 = 0 ... (11)
ћ2

PHYSICAL APPLICATIONS OF SCHRODINGER’S EQUATION TO

SQUARE WELL POTENTIAL IN ONE DIMENSION: TRANSMISSION
AND REFLECTION COEFFICIENT AT A BARRIER:

A potential barrier corresponds to the force field acting on a particle being zero
everywhere except in a limited region. A single potential barrier is shown in Fig.1.

Fig.1.6

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Basic Quantum Physics

For x < 0, the potential V(x) = 0

For x > 0, the potential V(x) = V0

So we may define the potential function of a potential step as Fig.1.6.

V(x) = 0 for x < 0

V0for x > 0

V0 is considered as the height of the potential barrier. Now consider the case of
electrons carrying energy E moving from left to right (i.e.) along the positive X-
directing. The energy of the electron may be greater than V0or less than V0.
According to quantum mechanics, the electrons behave like a wave and while
moving from left to right, it faces a sudden shift in potential at x = 0. This is
analogous to the propagation of light wave when it strikes a glass plate and faces a
change in refractive index. The ray is partly reflected and partly transmitted. In a
similar way, the electrons will be partly reflected and partly transmitted at x = 0 i.e.,
at the discontinuity.

The Schrodinger wave equation is applied to region I and II at the condition E

> V0.

In region I, the Schrodinger wave equation is given by

𝑑2𝑇1 2𝑚𝐸
+ 𝑇 =0
𝑑𝑥2 ћ2 1

it may be written as
2𝑊
1 2
or 𝑑 𝑘𝑇 where 2𝑚𝐸 = 𝑘2 ... (1)
𝑑𝑥2 1 1 ћ2 1

In region II, the Schrodinger wave equation is given by

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Basic Quantum Physics

𝑑2𝑇2 2𝑚𝐸
+ (𝐸 − 𝑉0)𝑇2 = 0
𝑑𝑥2 ћ2
2𝑊
2
or 𝑑 𝑘2𝑇 = 0 where 2𝑚(𝐸−𝑉) = 𝑘2 ... (2)
𝑑𝑥2 2 2 ћ2 2

The general solutions of equations (1) and (2) takes the form

𝑇1 = 𝐴 𝑒𝑖𝑘1𝑥 + 𝐵𝑒−𝑖𝑘1𝑥 (x < 0) ... (3)

and 𝑇2 = 𝐶 𝑒𝑖𝑘2𝑥 + 𝐷𝑒−𝑖𝑘2𝑥 (x > 0) ... (4)

Where A, B, C and D are constants which may be found boundary conditions.

In equation (3), the first term corresponds to a wave propagating along +ve X-
direction while the second term corresponds to wave travelling along negative X-
direction in the region I. While the first will represent incident wave, the second will
represent reflected wave. Since in the first region both incident and reflected rays
will be present, so equation (3) represents the solution of Schrodinger’s equation in
region I.

In equation (4), the first term corresponds to a wave travelling along positive
X-direction i.e., transmitted wave and second term corresponds to the wave travelling
in negative X-direction i.e., reflected wave in region II. Since there is no
discontinuity in region II, so there will not be a reflected wave i.e., D = 0, and so we
have the solution of wave equation as

𝑇2 = 𝐶 𝑒𝑖𝑘𝑥 ... (5)

So equations (3) and (5) will represent the solutions of Schrodinger wave equation in
I and II region respectively.

From probability interpretation of wave function, ψ must be finite i.e., it must be

continuous. So we will have the following boundary conditions.
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Basic Quantum Physics

(𝑇1)𝑥=0 = (𝑇2)𝑥=0
𝑑𝑊1 𝑑𝑊2
And ( ) =( ) ... (6)
𝑑𝑥 𝑥=0 𝑑𝑥 𝑥=0

Applying these boundary conditions, to equations (3) and (5), we get

A+B=0 ... (7)

and 𝑘1𝐴 − 𝑘1𝐵 = 𝑘2𝐶 ... (8)

Putting the value of C in equation (8), we have

𝑘1𝐴 − 𝑘1𝐵 = 𝑘2(𝐴 + 𝐵)

(𝑘1 − 𝑘2)𝐴 = (𝑘1 + 𝑘2)𝐵

𝑘1−𝑘2
Which gives 𝐵= ( )𝐴 ... (9)
𝑘1 +𝑘2

Putting the value of B from equation (9) in equation (7), we get

(𝑘1 − 𝑘2)
𝐴+ 𝐴=𝐶
(𝑘1 + 𝑘2 )
2𝑘1
Which gives C= ( )𝐴 ... (10)
𝑘1 +𝑘2

In this case B and C represent the amplitudes of reflected and transmitted beam
respectively in terms of amplitude of incident wave.

Now ψψ* represents the probability density. Let υ be the velocity of a stream
of particles then ψψ*υ represents the current density i.e., number of particles crossing
unit area placed perpendicular to the direction of motion. If Ni be the incident flux,
then we have by definition
𝑘1ћ
𝑁 = |𝐴 𝑇 𝑇∗|2𝜈 = |𝐴 |2𝜈 = |𝐴 |2 ... (11)
𝑖 𝑖 𝑖 𝑚

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 Basic Quantum Physics

Similarly the reflected flux Nr is given by the relation

𝑘1 −𝑘2
𝑁 = |𝐵|2𝜈 = |( 2 2 𝑘2 ћ ... (12)
𝑟 𝑘 +𝑘 )| |𝐴 | 𝑚
1 2

Now 𝑁 = 4𝑘1 𝑘1𝑘2ћ

|𝐴 |2 =
4𝑘1𝑘2
𝑁𝑖 ... (13)
𝑡 (𝑘1+𝑘2)2 𝑚 (𝑘1 +𝑘2 )2

We have from equation (11), (12) and (13)

Nt + Nr = Ni

So quantum mechanically, there is some probability of reflection and some

probability of transmission. The reflection coefficient R and transmission coefficient
T are defined as under

𝑀𝑎𝑔𝑛𝑖𝑡𝑢𝑑𝑒 𝑜𝑓 𝑟𝑒𝑓𝑙𝑒𝑐𝑡𝑒𝑑 𝑓𝑙𝑢𝑥 Nr

Reflection coefficient 𝑅 = =
𝑀𝑎𝑔𝑛𝑖𝑡𝑢𝑑𝑒 𝑜𝑓 𝑖𝑛𝑐𝑖𝑑𝑒𝑛𝑡 𝑓𝑙𝑢𝑥 Ni

𝑘1 − 𝑘2 2
=( )
𝑘1 + 𝑘2
𝑀𝑎𝑔𝑛𝑖𝑡𝑢𝑑𝑒 𝑜𝑓 𝑡𝑟𝑎𝑛𝑠𝑚𝑖𝑡𝑡𝑒𝑑 𝑓𝑙𝑢𝑥 Nt
Transmission coefficient T = =
𝑀𝑎𝑔𝑛𝑖𝑡𝑢𝑑𝑒 𝑜𝑓 𝑖𝑛𝑐𝑖𝑑𝑒𝑛𝑡 𝑓𝑙𝑢𝑥 Ni

4𝑘1𝑘2
=
(𝑘1 + 𝑘2 )2
4𝑘1𝑘2 (𝑘1− 𝑘2)2
So we have 𝑇+𝑅 = + =1
(𝑘1 + 𝑘2)2 (𝑘1 + 𝑘2 )

Scanning Tunneling Microscopy (STM)

The development of the family of scanning probe microscopes started with the original
invention of the STM in 1981. Gerd Binnig and Heinrich Rohrer developed the first working
STM while working at IBM Zurich Research Laboratories in Switzerland. This instrument
would later win Binnig and Rohrer the Nobel prize in physics in 1986.
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 Basic Quantum Physics
How an STM Works

The scanning tunneling microscope (STM) works by scanning a very sharp metal wire tip over
a surface. By bringing the tip very close to the surface, and by applying an electrical voltage
to the tip or sample, we can image the surface at an extremely small scale – down to
resolving individual atoms.

3D rendered Scanning Tunneling Microscope image of atoms.

The STM is based on several principles. One is the quantum mechanical effect of tunneling. It
is this effect that allows us to “see” the surface. Another principle is the piezoelectric effect.
It is this effect that allows us to precisely scan the tip with angstrom-level control. Lastly,
a feedback loop is required, which monitors the tunneling current and coordinates the
current and the positioning of the tip. This is shown schematically below where the tunneling
is from tip to surface with the tip rastering with piezoelectric positioning, with the feedback
loop maintaining a current setpoint to generate a 3D image of the electronic topography:

Schematic of scanning tunneling microscopy (STM).

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 Basic Quantum Physics
Tunneling

Tunneling is a quantum mechanical effect. A tunneling current occurs when electrons move
through a barrier that they classically shouldn’t be able to move through. In classical terms, if
you don’t have enough energy to move “over” a barrier, you won’t. However, in the quantum
mechanical world, electrons have wavelike properties. These waves don’t end abruptly at a
wall or barrier, but taper off quickly. If the barrier is thin enough, the probability function
may extend into the next region, through the barrier! Because of the small probability of an
electron being on the other side of the barrier, given enough electrons, some will indeed
move through and appear on the other side. When an electron moves through the barrier in
this fashion, it is called tunneling.

Quantum mechanics tells us that electrons have both wave and particle-like properties.
Tunneling is an effect of the wavelike nature.

Schematic of electron wavefunction.

The top image shows us that when an electron (the wave) hits a barrier, the wave doesn’t
abruptly end, but tapers off very quickly – exponentially. For a thick barrier, the wave doesn’t
get past.

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 Basic Quantum Physics
The bottom image shows the scenario if the barrier is quite thin (about a nanometer). Part of
the wave does get through and therefore some electrons may appear on the other side of
the barrier.

Because of the sharp decay of the probability function through the barrier, the number of
electrons that will actually tunnel is very dependent upon the thickness of the barrier. The
current through the barrier drops off exponentially with the barrier thickness.

To extend this description to the STM: The starting point of the electron is either the tip or
sample, depending on the setup of the instrument. The barrier is the gap (air, vacuum,
liquid), and the second region is the other side, i.e. tip or sample, depending on the
experimental setup. By monitoring the current through the gap, we have very good control of
the tip-sample distance.

Feedback loop and electron tunneling for scanning tunneling microscopy (STM).

Piezoelectric Effect
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 Basic Quantum Physics
The piezoelectric effect was discovered by Pierre Curie in 1880. The effect is created by
squeezing the sides of certain crystals, such as quartz or barium titanate. The result is the
creation of opposite charges on the sides. The effect can be reversed as well; by applying a
voltage across a piezoelectric crystal, it will elongate or compress. These materials are used
to scan the tip in an scanning tunneling microscopy (STM) and most other scanning probe
techniques. A typical piezoelectric material used in scanning probe microscopy is PZT (lead
zirconium titanate).

Feedback Loop

Electronics are needed to measure the current, scan the tip, and translate this information
into a form that we can use for STM imaging. A feedback loop constantly monitors the
tunneling current and makes adjustments to the tip to maintain a constant tunneling current.
These adjustments are recorded by the computer and presented as an image in the STM
software. Such a setup is called a constant current image.

In addition, for very flat surfaces, the feedback loop can be turned off and only the current is
displayed. This is a constant height image.

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 Basic Quantum Physics
Problems

1. An electron is trapped in a one-dimensional box of length 0.1nm. Calculate the

energy required to excite the electron from its ground state to the sixth excited
state.

Given:

a = 0.1 nm; n = 1 (for ground energy)

Solution:

𝑛2ℎ2
𝐸=
8𝑚𝑎2

12(6.625 × 10−34)2
𝐸=
8 × 9.11 × 10−31(0.1 × 10−9)2

𝐸 = 6.0223 × 10−18 𝐽

For sixth state, n = 6

62(6.625 × 10−34)2
𝐸=
8 × 9.11 × 10−31(0.1 × 10−9)2

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Basic Quantum Physics
𝐸 = 2.1680 × 10−16 𝐽

The energy required to excite the electron from its ground state to the sixth excited
state is 𝐸 = 𝐸6 − 𝐸1

𝐸 = 2.1680 × 10−16 − 6.0223 × 10−18

𝐸 = 2.1078 × 10−16 𝐽

𝐸 = 1317 𝑒𝑉

2. If the uncertainty in position of an electron is 4 X 10-10 m, calculate the

uncertainty in its momentum.

Solution:

∆𝑝𝑥 ∆𝑥 ≈ ℎ
ℎ 6.6 × 10−34
∆𝑝𝑥 ≈ ≈
∆𝑥 4 × 10−10
𝑚
= 1.65 × 10−24 𝑘𝑔
𝑠𝑒𝑐

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Basic Quantum Physics

QUESTIONS

Part A:
1. Define electromagnetic wave
2. Define the following
a) Radio waves
b) Microwaves
c) infrared waves
d) Visible rays
e) Ultraviolet rays
f) X- Rays
g) Gamma rays
3. Explain Photo electric effect.
4. Define Compton scattering
5. Define photon and write any four properties of photon.
6. Write postulates of Bohr Atom model.
7. Define electron diffraction.
8. Write dual nature of the particle.
9. Define De-Broglie wavelength.
10. Deing wave function with the basic equation.
11. What is Heisenberg Uncertainty principle?
12. Write the importance of Heisenberg Uncertainty principle.
13. State Schroedinger’s time dependent wave equation.
14. State Schroedinger’s time independent wave equation.
15. Write down Schroedinger’s time dependent and independent wave equations
for matter waves.

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Basic Quantum Physics

16. What is operator?

17. What do you mean by Eigen values and Eigen functions of the operators?
18. What is transmission and reflection coefficient?
19. What is quantum mechanical tunneling?
20. Write the principle behind the STEM.

Part B:
1. Explain Photo electric effect with its experimental [Link] brief in
Franck-Hertz experiment..
2. What is uncertainty principle? Explain i t s a p p l i c a t i o n i n
c a lc u la t ing t he r a diu s of Bohr or b it .
3. Derive Schroedinger’s time independent wave equations for matter waves.
4. State Schroedinger’s time independent wave equation for a one-dimensional
case. Use it to prove that a particle enclosed in a one-dimensional box has
quantised energy values.
5. Obtain expression for Eigen function of particle in one dimensional potential
well of infinite height.
6. A particle of some mass number and total energy E moves from a region of
zero potential to a region of constant potential V0. Derive an expression for
reflection and transmission coefficients when E<V0.
7. Draw the block diagram and explain the working of STEM.

36