UNIT IV: QUANTUM MECHANICS

Dr. M Chaitanya Varma

Associate Professor
Department of Electronics and Physics
Institute of Science
GITAM (Deemed to be University)
[email protected]
 The Heisenberg Uncertainty Principle

The product of the uncertainty in position of a particle and the uncertainty in its momentum can never be
less than one-half of the reduced Planck constant:

x * p 
2

It places limits on what we can know about a

particle from simultaneous measurements of
position and momentum. If Δx is large, Δp is
small, and vice versa.

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Another kind of uncertainty principle concerns uncertainties in simultaneous measurements of the
energy of a quantum state and its lifetime,

E * t 
2

• The Heisenberg uncertainty principle states that it is impossible to simultaneously measure the x-
components of position and of momentum of a particle with an arbitrarily high precision. The product of
experimental uncertainties is always larger than or equal to is ħ/2

• The energy-time uncertainty principle expresses the experimental observation that a quantum state that
exists only for a short time cannot have a definite energy.

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 Non-existence of electrons in the nucleus
But to prove it, let us assume that electrons exist in the nucleus. As the radius of the nucleus in
approximately 10-14 m. If electron is to exist inside the nucleus, then uncertainty in the position of
the electron is given by ∆x= 10-14 m
According to uncertainty principle, ∆x∆px =h/2π, Thus ∆px=h/2 π ∆x

Or ∆px =6.62 x10-34/2 x 3.14 x 10-14, ∆px=1.05 x 10-20 kg m/ sec

E= √ m20 c4 + p2c2 E= 19.6 MeV

However, it is observed that beta-particles (electrons) ejected from the nucleus during b –decay have
energies of approximately 3 MeV, which is quite different from the calculated value of 19.6 MeV.
Second reason that electron can not exist inside the nucleus is that experimental results show that no
electron or particle in the atom possess energy greater than 4 MeV.
Therefore, it is confirmed that electrons do not exist inside the nucleus.

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 Wave Function and its signicance
The wave function Ψ: The quantity whose variations make up matter waves is called the wave
function. The value of the wave function associated with a moving body at a particular point (x; y; z) in
space and at time t is related to the likelihood of finding the body there at that time.

Physical significance of the Wave function Ψ

The wavefunction Ψ(x,y,z,t) = Ψ(r,t) has no direct physical meaning. It is a complex quantity
representing the variation of matter waves. It connects the particle nature and its associated wave
nature statistically.

Born’s statistical interpretation, which says | Ψ(x,t|2 that gives the probability of finding the particle
atpoint x, at time t—or, more precise

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the total probability of finding the particle some where is unity i.e., the particle is certainly to
be found some where in space i.e.,

If the Ψ is the amplitude of the matter waves at any point in space, then the particle density at that point
may be taken as proportional to |Ψ|2. Thus, |Ψ|2 is a measure of particle density. When this is multiplied
with charge of the particle, the charge density is obtained. In this way |Ψ| 2 measures charge density of
particles.

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A ball is constrained to move along a line inside a tube of length 𝐿. The ball is equally likely to be found
anywhere in the tube at some time 𝑡. What is the probability of finding the ball in the left half of the tube at
that time?
L
P  x 0, L  C dx 1
2

o
L
2
C dx 1
o

1
C
L

2
L /2
To determine the probability of finding the ball in the 1
first half of the box (0<𝑥<𝐿), we have
P  x 0, L / 2    dx
0
L
1L
  50%
 L 2
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These conditions defined the properties of a well behaved wave function

•The function must be single-valued; i.e. at any point in space, the function must have only one
numerical value.
•The function must be finite and continuous at all points in space. The first and second derivatives of the
function must be finite and continuous.
•The function must have a finite integral over all space.

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 Schrödinger equation
Let us consider a group of waves associated with a moving particle of mass m with a velocity v. According to
de Broglie, the wavelength of these waves is λ= h/(mv). Let Ψ(r;t) be the displacement of these waves at the
site r(x; y; z) at a given instant of time t. According to classical mechanics, the wave equation is given by

2  2 2
2
v 
t
Solution of this second order differential equation is given by   e  it
v2
Differentiating the equation twice and using ω=2πυ and υ=v/λ we get 2  4 2 
p 2  2

Now from de Broglie λ= h/(mv) = 2  4 2 2 

h/p, h

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Let E and V be the total and the potential energies of a moving particle. Then the kinetic energy of
the particle is given by
1 2 p2
mv  E  V  p 2 2m E  V 
2 2m

Using the above equations, we get,

8 2
m
   2  E  V  0
2

h
2m
Considering ħ=h/2π, we get    2  E  V  0
2

For a free particle potential energy V=0, hence the 2m

Schrodinger wave equation for a free particle can be    2 E 0
2

written as 

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Schrodinger Time Dependent wave equation – Derivation:
 H  E 
Schrodinger Time Dependent wave equation
 Example: “Particle in a Box”
As a specific important example, consider a quantum particle
confined to a region, 0 < x < L, by infinite potential walls.
We call this a “one-dimensional (1D) box”.

U(x) U = 0 for 0 < x < L

  U =  everywhere else
Quantum
We already know the dots
form of y when U = 0.
It’s sin(kx) or cos(kx).
However, we can constrain
y more than this.
0 L
www.kfa-juelich.de/isi/

This is a basic problem in “Nano-science”. It’s a

simplified (1D) model of an electron confined in a
quantum structure (e.g., “quantum dot”), which
scientists/engineers make, e.g., at the UIUC
Microelectronics Laboratory. Web site
newt.phys.unsw.edu.au
 Particle in a one dimensional box (Infinite potential well)

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 BOUNDARY CONDITIONS
We can solve the SEQ wherever we know U(x). However, in many
problems, including the 1D box, U(x) has different functional forms in
different regions. In our box problem, there are three regions:
1: x < 0
2: 0 < x < L
3: x > L
y(x) will have different functional forms in the different regions.
We must make sure that y(x) satisfies the constraints (e.g., continuity)
at the boundaries between these regions.
The extra conditions that y must satisfy are called “boundary
conditions”. They appear in many problems.
 PARTICLE IN A BOX

The waves have exactly the same form as standing waves on a string, sound waves in a pipe,
etc.

The wavelength is determined by the condition that it fits in the box.

On a string the wave is a displacement y(x) and the square is the intensity, etc. The discrete set
of allowed wavelengths results in a discrete set of tones that the string can produce.

In a quantum box, the wave is the probability amplitude y(x) and the square |y(x)|2 is the
probability of finding the electron near point x.
The discrete set of allowed wavelengths results in a discrete set of allowed energies that the
particle can have.
 PARTICLE IN A BOX (1)
Regions 1 and 3 are identical, so we really only need to deal with two distinct regions, (I) outside, and
(II) inside the well
U(x)
 
Region I: When U = , what is y(x)?
d 2  ( x ) 2m I II I
2
 2 (E  U ) ( x ) 0
dx 
yI yI
For U = , the SEQ can only be satisfied if: 0 L
U = 0 for 0 < x < L
yI(x) = 0 U =  everywhere else

Otherwise, the energy would have to be infinite, to cancel U.

 PARTICLE IN A BOX (2)
Region II: When U = 0, what is y(x)? U(x)
 
d 2  ( x ) 2m
2
 2 (E  U ) ( x ) 0 II
dx 

d 2 (x)  2mE  y
2
  2 
 (x)
dx    0 L
The general solution is a superposition of sin and cos:
2
 ( x ) B1 sin kx  B2 cos kx where, k 

Remember that k and E are related:

p2 2k 2 h2
E   because U = 0
2m 2m 2m 2
B1 and B2 are coefficients to be determined by the boundary conditions.
 PARTICLE IN A BOX (3) U(x)
 

Now, let’s worry about the boundary conditions. I II I

Match y at the left boundary (x = 0).
yII
yI yI
Region I:  I ( x ) 0
0 L
Region II:  II ( x ) B1 sin kx  B2 cos kx
Recall: The wave function (x) must be continuous at all boundaries.
Therefore, at x = 0:
 I (0)  II (0)
 0 B1 sin 0   B2 cos 0 

0 B2 because cos(0) = 1 and sin(0) = 0

This “boundary condition” requires that there be no cos(kx) term!

 PARTICLE IN A BOX (4) U(x)
 
Now, match y at the right boundary (x = L).
I II I
At x = L:  I (L )  II (L )
yII
yI yI
 0 B1 sin kL 
This constraint requires k to have special values: 0 L

n 2
kn  n 1, 2, ... Using k  , we find: n 2L
L 

This is the same condition we found for confined waves,

e.g., waves on a string, EM waves in a laser cavity, etc.:
n l (= v/f)
4 L/2 For matter waves, the
wavelength is related to
3 2L/3
the particle energy:
2 L E = h2/2ml2
1 2L
Therefore
 The Energy is Quantized
Due to Confinement by the
Potential
The discrete En are known as “energy eigenvalues”:
electron n l (= v/f) E
nn 2L
4 L/2 16E1
p2 h2 1.505 eV nm 2
En   
2m 2mn 2
n2 3 2L/3 9E1
2 h2 2 L 4E1
En E1n where E1 
8mL2
1 2L E1

U= U=
Important features: En
 Discrete energy levels. n=3
 E1  0  an example of the uncertainty principle
 Standing wave (±p for a given E) n=2
 n = 0 is not allowed. (why?) n=1

0 L x
 Expression for the wave function

normalization condition of the wave function

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An electron is confined to a 1 micron thin layer of silicon. Assuming that the semiconductor can be
adequately described by a one-dimensional quantum well with infinite walls, calculate the lowest
possible energy within the material in units of electron volt. If the energy is interpreted as the kinetic
energy of the electron, what is the corresponding electron velocity? (The effective mass of electrons in
silicon is m* = 0.26 m0, where m0 = 9.11 x 10-31 kg is the free electron rest mass).

= 2.32 x 10-25 Joules = 1.45 meV.

= 1.399 km/s.

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An electron is confined to a box of length 0.6 nm (a typical atomic size). From the uncertainty
principle, estimate the minimum kinetic energy (in eV) of the electron.

The momentum must be of order p = ħ/L = (1.05*10 -34 Js)/(6*10-10 m).

One can now estimate the kinetic energy with

KE = p2/(2m) = p2/(2*9.109*10-31 kg) = 1.68*10-20 J = 0.1 eV

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 Thank you
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