Schrödinger's Wave Equation and

its Applications to One Dimensional

Problems

Prof. O. P. S. Negi
Vice Chancellor
Uttarakhand Open University
Haldwani ( Nainital)
 Schrödinger's Wave Equation (Derivation)
• Considering a complex plane wave:
• Now the Hamiltonian of a system is :
• Here ‘V’ is the potential energy and ‘T’ is the kinetic energy. Erwin Schrödinger
• We already know that ‘H’ is the total energy i.e. 1887-1961

• So,

•Here ‘λ’ is the wavelength and ‘k’ is the wave-number.

• Now multiplying Ψ (x, t) to the Hamiltonian we get,

• This is known as time independent Schrödinger's Wave Equation.

• Now combining the right parts, we can get the Schrodinger Wave Equation as

• This equation is known as the Time Dependent Schrödinger Equation.

• This equation tells us how the initial information about the system changes with
time according to a particular physical circumstance that a system finds itself in.
 Application of Schrödinger's equation
to One Dimensional Problem
•The particle in a box problem is a common application of a quantum
mechanical model to a simplified system consisting of a particle
moving horizontally within an infinitely deep well from which it
cannot escape.
• The solutions to the problem give possible values of E and ψ that
the particle can possess.
• E represents allowed energy values and ψ(x) is a wave-function,
which when squared gives us the probability of locating the particle at
a certain position within the box at a given energy level.
•To solve the problem for a particle in a 1-dimensional box, we must
follow the recipe for Quantum Mechanics:
One dimensional Schrödinger Equation
Define the Potential Energy, V
 Solve the Schrödinger Equation
 Define the wave-functions
 Solve for the allowed energies
One‐Dimensional Quantum
Mechanics
 Define the Potential Energy V
• We confine the particle to a region between
x = 0 and x = L Let us write the potential
(the potential of infinite depth) as

• The potential energy is plotted as a function of a single variable.

as shown in Fig.
•The potential energy is 0 inside the box (V=0 for 0<x<L) and goes to
infinity at the walls of the box (V=∞ for x<0 or x>L).
• We assume the walls have infinite potential energy to ensure that
the particle has zero probability of being at the walls or outside the
box.
• This is necessary to apply the proper boundary conditions while
solving the Time Independent Schrödinger Equation (TISE) for
infinitely deep square well.
 How to solve Schrödinger Equation?
•The Time-independent Schrödinger equation (TISE) for a particle of mass m moving
in one direction with energy E is or  2  2m ( E  V )  0
x 2 2

• This equation can be modified for a particle of mass m free to move parallel to the
x-axis with zero potential energy (V = 0 everywhere).
• Out side the box the solution is trivial.  2

2m
E  0
• It is ZERO i.e. ψ=0 x 2
 2

 2 2m
• Inside the box the TISE reduces to   k 2
  0 ( k 2
 E)
x 2 2
• This equation has well known solution as

• ψ(x) determines the stationary states (V=0) inside the box .

• Boundary conditions, the probability of finding the particle at x=0 or x=L is zero
•implies (ψ(x)=0) .
• When x=0 , then sin (0)=0 and cos (0)=1 ; therefore
 (0)  A sin(0)  B cos(0)  0  B  0
• Then for x=L, the following is true
 ( L)  A sin(kL)  0  kL  0,  ,2 ,3 ,.....n
kL  n (n  1,2,3,...)
How to find out the Wave function?
Particle in the Infinite Potential Well
Particle in the Infinite Potential Well
Energy Eigen values
 Allowed energy Eigen values
• The normalized wave-functions for a particle in a 1-dimensional box:

• The allowed energies for a particle in a box:

• interpretation: 1. The energy of a particle is quantized.  
2 2
h 2
E   ( for n  1)
2. The lowest possible energy of a particle is NOT zero. 0
2mL 2
8mL 2

• This is called the zero-point energy ( ground state energy) and means the particle
can never be at rest because it always has some kinetic energy.
• This is also consistent with the Heisenberg Uncertainty
Principle: if the particle had zero energy, we would know
where it was in both space and time.
• The wave-functions for a particle in a box at the n=1,
n=2 and n=3 energy levels look like as figure.
• The probability of finding a particle a
certain spot in the box is determined by
Squaring ψ .
• The probability distribution for a
particle in a box at the n=1 and n=2 energy
levels looks like as given in figure.
 Average Momentum of Particle in a Box
(Infinite Potential Well)
2
 sin kx

L L
 2 
 p    * ( x)  * ( x)dx   [ sin kx] L dx
0
i x 0
L i x
L
2
 k  sin(kx) cos(kx)dx  0
Li 0

• Can evaluate the integral and show it is zero

• Can note that the right hand side is either 0 or
imaginary, but momentum cannot be imaginary
so it must be zero
 Finite Potential Well
• The potential energy is
zero (U(x) = 0) when the
particle is 0 < x < L (Region
II)
• The energy has a finite
value (U(x) = U) outside
this region, i.e. for x < 0 and
x > L (Regions I and III)
• We also assume that energy
of the particle, E, is less
than the “height” of the
barrier, i.e. E < U
 Finite Potential Well
Schrödinger Equation
 2  2 x 
  U( x) x   E x 
2m  x
2

I. x < 0; U(x) = U
 2 d 2 I
 2
 U I  E I
2m dx
II. 0 < x < L; U(x) = 0
 2 d 2 II
 2
 E II
2m dx

III. x > L; U(x) = 0

 2 d 2 III
 2
 U III  E III
2m dx
 Finite Potential Well: Region II
• U(x) = 0 because V=0
– This is the same situation as
previously for infinite
potential well
– The allowed wave functions
are sinusoidal
• The general solution of the
Schrödinger equation is
• The boundary
ψII(x) = F sin kx + G cos kx conditions , however,
no longer require
– where F and G are constants that ψ(x) be zero at
the sides of the well
 Finite Potential Well: Regions I and III
• The Schrödinger equation for these regions is
 2 d 2
  U  E
2m dx 2
• It can be re-written as
d 2 2m(U  E) 2m(U  E)
   C 2
 , whe re C 2

dx2 2 2
• The general solution of this equation is
ψ(x) = AeCx + Be-Cx
– A and B are constants
– Note (E-U) is the negative of kinetic energy, -Ek
– In region II, C is imaginary and so have
sinusoidal solutions we found
2mU
– In both regions I and III, C 

and ψ(x) is exponential
 Finite Potential Well – Regions I and III
• Requires that wave-function, ψ(x) = AeCx + Be-Cx
not diverge as x  ∞
• So in region I, B = 0, and ψI(x) = AeCx
– to avoid an infinite value for ψ(x) for large
negative values of x
• In region III, A = 0, and
ψIII(x) = Be-Cx
– to avoid an infinite value for ψ(x)
for large positive values of x
 Finite Potential Well
• The wave-function and its derivative must be single-valued
for all x
– There are two points at which wave -function is given by two
different functions: x = 0 and x = L
• Thus, we equate the two
expressions for the wave-  I (0)   II (0)
function and its derivative at
d I d II
–
x =0, L .
This, together with the 0  0
normalization condition, dx dx
 II ( L)   III ( L)
determines the amplitudes of
the wave-function and the
constants in the exponential
d II d III
L   L 
term.
– This determines the allowed
energies of the particle dx dx
 Finite Potential Well
Graphical Results for ψ (x)

• Outside the potential

well, classical
physics forbids the
presence of the
particle
• Quantum mechanics
shows the wave
function decays
exponentially to zero
 Finite Potential Well
Graphical Results for Probability Density,
| ψ (x) |2
• The probability
densities for the lowest
three states are shown
• The functions are
smooth at the
boundaries
• Outside the box, the
probability of finding
the particle decreases
exponentially, but it is
not zero! http://phys.educ.ksu.edu/vqm/html/prob
illustrator.html
 Tunneling
• The potential energy has a
constant value U in the region of
width L and zero in all other
regions
• This a called a barrier
• U is the called the barrier height.
Classically, the particle is reflected
by the barrier
– Regions II and III would be forbidden

• According to quantum mechanics, all regions are accessible

to the particle
– The probability of the particle being in a classically
forbidden region is low, but not zero
– Amplitude of the wave is reduced in the barrier
– A fraction of the beam penetrates the barrier
– http://phys.educ.ksu.edu/vqm/html/qtunneling.html
– http://phet.colorado.edu/web-pages/simulations-base.html
 More Applications of Tunneling
Resonant Tunneling Device

• Electrons travel in the gallium arsenide

• They strike the barrier of the quantum dot from
the left
• The electrons can tunnel through the barrier and
produce a current in the device
 More Applications of Tunneling
Scanning Tunneling Microscope
• An electrically
conducting probe with a
very sharp edge is
brought near the surface
to be studied
• The empty space
between the tip and the
surface represents the
“barrier”
• The tip and the surface
are two walls of the
“potential well”
 Simple Harmonic Oscillator
• To explain blackbody radiation Planck postulated that the energy of
a simple harmonic oscillator is quantized
– In his model vibrating charges act as simple harmonic oscillators
and emit EM radiation
• The quantization of energy of harmonic oscillators is
predicted by QM.
• Let’s write down the Schrödinger Equation for SHO
• For SHO the potential energy is kx2 m 2 x 2
U ( x)  
2 2
k

m
• Time independent Schrödinger Equation for SHO in one -Dimension

 2  2 x  m 2 x 2
   x   E x 
2m  x 2
2
 Simple Harmonic Oscillator
• Solutions of time-independent Schrödinger equation for 1D
harmonic oscillator

 2  2 x  m 2 x 2
   x   E x 
2m x 2
2
 Simple Harmonic Oscillator
• Planck’s expression for energy of
SHO E  nh 
• Energy of SHO obtained  1  1
E   n     n  h
from the solution of the  2  2
Schrödinger equation n  0 ,1,2 ,3,...
– Thus, the Planck h
formula arises from  ;   2
2
the Schrödinger
equation naturally Term ½ hν tells us that
– n = 0 is the ground quantum SHO always
state with energy ½hν oscillates. These are called
zero point vibrations
 Simple Harmonic Oscillator
• Energy of SHO from the Schrödinger equation
1
E  nh  h
2
• The zero point energy ½hν is required by the
Heisenberg uncertainty relationship
• The term of ½hν is important for understanding of
some physical phenomena
• For example, this qualitative explains why helium
does not become solid under normal conditions
– the “zero point vibration” energy is higher than the “melting energy”
of helium
• Force between two metal plates