Quantum

Mechanics

PHY1008 Modern Physics

Class - 6
Dr. Nagarjuna Neella
Assistant Professor
Department of Physics
School of Advanced Sciences
VIT-AP University
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 Quantum
Mechanics

Module 3 –Elementary Quantum Mechanics

(Wave function, physical significance of wave

function, Eigen function, Eigen values.)

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 Wave function
Quantum
Mechanics
• An equation that relates classical particle with its wave counterpart.
• The beauty of this equation lies in its simplicity!
• A few comments from noted physicists of that era:
• “The most remarkable of all discoveries in 20th century”- Arnold Sommerfeld
• “I am reading your communication in a way like a child eagerly listens to the solution of a riddle with
which he struggled for a long time, and I rejoice in the beauty of what my eyes discover……!” – Max
Planck
• “ Where did we get that equation from? Nowhere. It is not possible to derive from anything you know. It
came out of mind of Schrodinger, invented in his struggle to find an understanding of the experimental
observation of the real world”- Richard Feynmann

If there is a wave associated with a particle, then there must be a function to represent it. This function is called as
a wave function

A variable quantity which characterizes de Broglie waves is known as wave function

It is represented by Greek symbol ψ(psi), which consists of real and imaginary parts
Ψ = A + iB
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 Quantum
Physical Significances of a Wave Function
Mechanics
1. The wave function associated with a moving particle is not a observable quantity and does not have any
direct physical meaning (It is a complex quantity)

2. The wave function relates the particle and wave nature statistically
3. The square of the wave function (determined by multiplying the wave function by its complex conjugate) is a
real quantity
ψ 2 = ψ × ψ∗

4. │ψ│2 is the measure of the probability of finding the particle at a particular position. It cannot predict the exact location of the particle
5. The probability values lies between 0 and 1

6. If the particle is certainly present means P = 1 and if the particle is not present means, P = 0
7. If P = 0.4 indicates that there is a 40% chance for the presence of the particle

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 Quantum
Mechanics

Physical significance of the wave function

✓ The wave function ψ(x, t) is the solution of Schrödinger wave equation and quantum-mechanically
describes the behavior of a moving particle.

✓ The wave function ψ cannot be measured directly by any physical experiment.

✓ ψ gives a measure of the probability of finding a particle at a particular position. ψ is

also called the probability amplitude.

✓ Itself has no physical meaning as it is complex and non observable

✓ The probability density P (x,t) , product of the wave function ψ and its complex conjugate ψ*, is a
measure of probability density i.e., probability per unit volume of the particle being at a point.

P( x , t ) =  =  ( x , t ) = 
2 2

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 Quantum
Mechanics
Normalization of wave function
Consider a particle, represented by the wave function ψ, to be present in in a volume τ
If |ψ|2 d is the probability of finding the particle in a small volume dτ then
total probability of finding a particle anywhere inside volume τ must be 1 i.e.,

 d = 1
 2


This requirement is known as the Normalisation condition.

In one dimension the normalization condition is

x
 2dx = 1

Note: When the particle is bound to a limited region the probability of finding the particle at infinity is zero i.e.,

* = 0 at x = 
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 Quantum
Properties of wave function Mechanics
The wave function ψ should satisfy the following properties to describe the characteristics of matter waves.

1. ψ must be a solution of Schrödinger wave equation.

a
2. The wave function ψ should be continuous and single b
valued everywhere (x) (x)
3. Ψ is finite everywhere

4 The first derivative of ψ with respect to x should be P x P x

continuous and single valued everywhere, since it is related
to the momentum of the particle which should be finite.
c
5. Ψ must be normalized so that ψ must go to 0 as x → ±  , d
(x) (x)
so that ∫2 d over all the space be a finite constant.

R x Q x
Figure b, c, and d do not represent wave functions
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 Quantum
Schrödinger’s Wave Equation Mechanics
The behavior of sub-atomic particles (electrons) can’t be explained by classical mechanics based on
Newton’s law of motion

In 1926, Austrian physicist Erwin Schrödinger thought that if electrons behave as waves, then it should be
possible to describe them using a wave equation

This equation (Schrödinger’s Wave equation) is the fundamental equation of physics for describing
quantum-mechanical behavior

There are two forms of Schrödinger's wave equations

1. Time independent wave equation
2. Time dependent wave equation

The equation is based on three considerations

❖ Classical plane wave equation
❖ de-Broglie’s Hypothesis of matter-wave
❖ Conservation of Energy.
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 Quantum
Schrödinger’s Wave Equation
Mechanics
• A consequence of wave particle duality
• The Schrödinger wave equation, a partial differential equation, is the fundamental
equation of physics for describing quantum mechanical behaviour.
• It describes the time-evolution of wave function for a given physical system
• SWE is the quantum mechanics analogue to the Newton's laws of motion

SWE cannot be derived from any basic principles, but can be arrived at, by using the
de-Broglie hypothesis in conjunction with the classical wave equation
Erwin Schrödinger
Nobel Prize 1933

A wave function in quantum physics is a mathematical description of the quantum state of a system, whose variation gives matter waves

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 Quantum
Schrödinger's Wave Equations
Mechanics
Schrödinger derived the equations by incorporating two assumptions

Assumption – 1 2mE = 2mV + p2

E = P.E + K.E.
p2 = 2mE − 2mV
1
E = V + mv2
2 p2 = 2m(E − V)
1 2 2 h
E= V+ m v λ=
2m p= 2m(E − V) p
p2
E=V+
2m
h
λ=
2mV + p2 2m(E − V)
E=
2m
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 Quantum
Schrödinger's Wave Equations
Mechanics
Assumption – 2

The wave function associated with the matter particles, with function of time ‘t’ is

ψ = ψ0 e−iωt

ψ0 = amplitude of the wave at the point (x,y,z)

ω = 2πν is the angular frequency ν = frequency

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 Quantum
Time Independent Schrödinger's Wave Equation
Mechanics

Consider a system of wave associated with a moving particle

Let ψbe the wave function of the particle along x, y, z coordinates at any time ‘t’

Differential wave equation of a progressive wave with wave velocity ‘u’ in terms of
Cartesian coordinates (classical physics)

d2ψ d2ψ d2ψ 1 d2ψ

+ + =
dx2 dy2 dz2 u2 dt2

The solution of this equation is

ψ = ψ0 e−iωt
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 Quantum
Time Independent Schrödinger's Wave Equation
Mechanics
ψ = ψ0 e−iωt

Differentiating this equation with respect to ‘t’ twice

dψ
= −iω ψ0 e−iωt
dt

d2ψ −iωt
= (−iω) (−iω) ψ 0 e
dt2

d2ψ 2 ω2 ψ e −iωt
= i 0
dt2
i2 = −1
d2 ψ d2ψ 2ψ
= −ω 2ψ = −ω
dt2 dt2
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 Quantum
Time Independent Schrödinger's Wave Equation
Mechanics

d2ψ d2ψ d2ψ 1 d2ψ d2ψ 2ψ

2 + 2 + 2
= 2 2 = −ω 𝜔 = 2𝜋𝜈 u = νλ
dx dy dz u dt dt 2

d2ψ d2ψ d2ψ 1 d2ψ d2ψ d2ψ 4π2ν2

+ + = (−ω 2ψ) + 2 + 2 =− 2 2 ψ
dx2 dy2 dz2 u2 dx 2 dy dz ν λ

d2 ψ d2 ψ d2 ψ 1
2πν 2ψ
+ + = − 2 d2ψ d 2ψ d2ψ 4π 2
dx 2 dy 2 dz 2 u
2 + 2 + 2 =− ψ
dx dy dz λ 2

d2 ψ d2 ψ d2 ψ 4π2ν2
2 + 2 + 2 =− 2
ψ
dx dy dz u
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 Quantum
Time Independent Schrödinger's Wave Equation
Mechanics
d2 ψ d 2 ψ d2 ψ 4π2 h 1 2𝑚(𝐸 − 𝑉)
+ + =− 2 ψ λ= =
dx2 dy2 dz2 λ 2m(E − V) 𝜆2 ℎ2

d2ψ d2ψ d2ψ 2

1
+ 2 + 2 = −4π 2 ψ
dx 2 dy dz λ

d2 ψ d2 ψ d2 ψ 2 2m(E − V)
+ + = −4π ψ
dx2 dy2 dz2 h 2

d2 ψ d2 ψ d2 ψ 4π2
+ + =− 2m(E − V) ψ
dx2 dy2 dz2 h 2

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 Quantum
Time Independent Schrödinger's Wave Equation
Mechanics
d2 ψ d2 ψ d2 ψ 4π2
+ + =− 2m(E − V) ψ
dx2 dy2 dz2 h 2

d2 d2 d2 2, where ∇ is Laplacian operator

+ + = ∇
dx2 dy2 dz2

4π 2
∇2ψ = − 2 2m(E − V) ψ
h
8π 2
8π2
∇2ψ = − h2 m(E − V) ψ ∇2ψ = − 2 2 m(E − V) ψ
ℏ 4π
Reduced Planck′s constant
h 2m
ℏ= → h = ℏ2π ∇2ψ = − (E − V) ψ
2π ℏ2
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 Quantum
Time Independent Schrödinger's Wave Equation
Mechanics
2m 8π 2
∇2ψ = − 2 (E − V) ψ ∇2ψ = − 2 m(E − V) ψ
ℏ h

2m 8π 2
∇ ψ + 2 (E − V) ψ = 0
2 ∇2ψ + 2 m(E − V) ψ = 0
ℏ h

(Schrödinger time independent wave equations)

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 Quantum
Eigen functions and Eigen values Mechanics
The physically acceptable solutions of SWE are called Eigen functions (ψ).
The physically acceptable wave functions ψ has to satisfy the following conditions:
1. ψ is single valued.
2. ψ and its first derivative with respect to its variable are continuous everywhere.
3. ψ is finite everywhere

Eigen values: The eigen functions are used in Schrödinger wave equation to evaluate
the physically measurable quantities like energy, momentum, etc., these values are
called Eigen values. ^ ^
In an operator equation O  =  where O is an operator for the physical quantity and
ψ is an Eigen function and λ is the Eigen value.
For example : 
H  = E
H → total energy (Hamiltonian) operator, ψ → Eigen function and E → total energy in the system.


for the momentum P  = p

P → momentum operator and p → momentum eigen values.

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 Quantum
Common Operators
Mechanics
Position:
The position operator of a particle moving in one dimension (the x-direction) is
x^=x

and can be generalized in three dimensions r→^=r→

where r⃗ =(x,y,z)

Linear Momentum:The linear momentum operator of a particle moving in one

dimension (the x-direction) p^x=−iℏ∂/∂x
and can be generalized in three dimensions: p⃗ ^=−iℏ∇
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 Quantum
Mechanics
Kinetic Energy:
Classically, the kinetic energy of a particle moving in one dimension (the x-direction), in terms of momentum, is
KEclassical=px2/2m

Quantum mechanically, the corresponding kinetic energy operator is

A mathematical entity that transforms one function into another KE^quantum=−ℏ2/2m ∂2/∂x2

and can be generalized in three dimensions: KE^quantum=−ℏ2/2m∇2

Hamiltonian: The Hamiltonian operator corresponds to the total energy of the system
H^=−ℏ2/2m ∂2/∂x2+V(x)

and it represents the total energy of the particle of mass mm in the potential V(x). The
Hamiltonian in three dimensions is H^=−ℏ2/2m ∇2+V(r⃗ )

Total Energy : The energy operator from the time-dependent Schrödinger equation iℏ∂/∂t Ψ(x,t)=H^Ψ(x,t)

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 Quantum
Mechanics
Confirm that the following wavefunctions are eigenstates of linear momentum and kinetic energy (or
neither or both):

1.ψ=Asin(ax)ψ =Asin(ax)
2.ψ=Ne−ix/ℏ

p^xψ=pxψ
KE^ψ=KEψ KE^quantum=−ℏ2/2m ∂2/∂x2
where px and KE are the measurables
(eigenvalues) for these operators.
p^x=−iℏ∂/∂x ℏ2/2m ∂2/∂x 2 Asin(ax) =−ℏ2/2m∂/∂x Aacos(ax)
=+ℏ2/2mAa2sin(ax)
−iℏ∂/∂x Asin(ax)=−iℏ Aacos(ax)

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 Quantum
Mechanics
Are ψ=Me−bx functions Eigenstates of linear momentum and kinetic energy (or neither or both)?

Ψ is an eigenstate of linear momentum with a eigenvalue of biℏ and p^x=−iℏ∂/∂x

also an eigenstate of kinetic energy with an eigenvalue of b2.

KE^quantum=−ℏ2/2m ∂2/∂x2

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 Quantum
Mechanics
In a region of space, a particle with mass m and with zero energy has a time-independent wave function ψ(x) =
Axe−x 2/L2 where A and L are constants. Determine the potential energy U(x) of the particle.

The time-independent Schrodinger equation for the wavefunction ψ(x) of a particle of mass m in a potential U(x):

− ħ2 /2m d 2ψ(x) /dx2 + U(x)ψ(x) = Eψ(x)

When a particle with zero energy has wavefunction ψ(x) , it follows on substitution into Eq. that

U(x) = 2 ħ2 /mL4 ( x 2 − 3L 2 /2)

U(x) is a parabola centred at x = 0 with U(0) = −3ħ2 /mL2

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 Quantum
Mechanics
The normalized wave function of a particle is y = Ae–ikx. Calculate the energy eigenvalue of the particle.

iℏ∂/∂t Ψ(x,t)=H^Ψ(x,t)

H^=−ℏ2/2m ∂2/∂x2+V(x)

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 Quantum
Mechanics
Find the eigenfunction for the operator x + d /dx

The eigenvalue equation for the operator x+ d/ dx + is given by

(x + d/ dx ).ψ =αψ

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 Quantum
Mechanics

Thank you

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