SSD03

Schrodinger Equation
Schrodinger Equation
• Incorporated the quantum theory proposed by Plank and the wave like
nature of the matter proposed by de Broglie.
• Schrodinger equation: Wave mechanics
• Newton’s laws: Classical mechanics
• Maxwell’s equations: Electromagnetic theory
Schrodinger Equation…
• Schrodinger Equation in steady state - expresses the probability of location of a
particle at a point in space where the wave function ψ(x,y,z) is a measure of that
probability.
• Time independent Schrodinger equation
ψ +8+(E-W) ψ =0
m: mass of the particle
W: potential energy of the particle
E: total energy of the particle
Equation of a Wave
When applied to electron waves
• m: mass of electron
It gives a measure of probability of finding a given electron at a certain
location.
dV: probability that a particle with potential energy W and total energy E
will be located in the spatial volume dV at the point resulting from ψ (x,y,z).
• When a particle moves in a force field, such that change of potential
occurs over distances that are very large compared with the wavelength
associated with the particle, the laws of Newtonian mechanics are
applicable.
• If the change in potential occurs over distances comparable to the
wavelength associated with the particle, (as in the case of the periodic
potential of a crystal), then Newtonian mechanics doesn’t apply and the
wave nature of the particle gives rise to a completely new phenomenon.
Summary
1. The electron is not be regarded as a wave, but as particle, with an
associated hypothetical de Broglie wave.
2. Over a small region, where the electron is known to exist, a probably
‘wave packet’ could be set up.
Ψ(x)
x0
•Localized
•Particle is more likely to be at x0.
•Over a distance >λ, the motion of the electron – motion of the wave packet.
• The probability of locating the electron at a certain point – solution of Schrodinger’s
equation.
• For finding ψ, two postulates are important.
• Postulates
1. ψ and its first derivative are finite, continues, single-valued.
2. The probability per unit volume of finding a particle at a particular position and at a
certain instant of time is ψψ*.(probability: positive quantity)
over the entire volume = 1
dxdydz=1
Solution of Schrodinger equation
1. Free electron
2. Electron in a potential well (Bound electron)
3. Finite potential Barrier (Tunnel effect)
4. Electron in a periodic Field of a crystal (the solid state)
ψ +8(E-W) ψ =0
ψ +(E-W) ψ = 0 where ħ=
Case I: Free electron
Consider electrons that propagate freely, ie. in a potential free space in the
+x direction.
i.e. ‘No Wall’ or No potential barrier to restrict.
The potential energy W=0 and the Schrodinger equation reduces to,
+ E ψ =0
Solution: ψ(x) = where α=
The solution exists for all values of α or E.
=
E=
ie. ψ(x) exists for all values of E or all energy levels. Thus a continuous band
is obtained.
Free-flying electron – all values of energy are allowed.
α=E=, p=mv, E=ħ=, p
α = = k = wave number
p (= mv)
Momentum – vector
k: wave vector
=
Case II: Electron in a potential well (Bound Electron)
 Electron bound to its nucleus

∞ ∞
 Infinite potential well
 Potential barriers don’t allow the electrons to escape from the well Well
v v
i.e. ψ(x)=0, x=0
ψ(x)=0, at x=a X= 0
*
nucleus X = a x
 Assume the electron propagates in x direction

 In this case electron is reflected on the walls of the well – positive and negative x-direction
 Potential energy inside the well is zero as before
Schrodinger equation for an electron in this region
+ Eψ=0
Solution: Two propagation directions (+x and –x)
ψ+ where α=
At x=0, ψ(x)=0 or 0=A+B B=-A
At x=a, ψ(x)=0
0=+
i.e. 0 =
A[2j sin(]=0
2Aj sin()=0
sin()=0 or =n (
=k=wave number
α== where =
=
Or En = , where n – integer
Probability of locating the electron at any x is,
ψ(x)+, and B=-A
ψαx
4A2sin2αx
4A2 (sin )2=

The particle spends most of the time at the point at which is maximum.
En =
Thus the solution of Schrodinger equation exists only for certain energy values.
Therefore certain discrete energy levels exist , E1, E2, E3, ….En exist in the case of an
in a potential well (bound electron).
• Previous result means that the energy of the particle is quantized.
• That is, the energy of the particle can only have particular discrete values.
• The quantization of the particle energy is contrary to results from classical
physics, which would allow the particle to have continuous energy values.
• The quantization of the energy of a bound particle is an important result.
Case III: Electron in a finite potential barrier (V o)
(Quantum mechanical tunnelling)
Free electron moving in the positive x-direction, encounters a potential barrier Vo which is larger than E
of the electron.
In Region 1: (x
The electron is assumed to be free,
(I) + E ψ =0
ψ I(x) = +, α=
Inside the potential barrier, (x>0), the Schrodinger equation,
(II) + (E-Vo) ψ =0
(II) ψ II(x) = + where =
Since Vo >E, will be imaginary.
Let γ = j
ψ II(x) = +
==j
γ=j=
When x =
ψII(x)=C.+D.0
If C is finite, ψII(x)
But ψ21 (It is probability)
Therefore, C=0
ψII(x) =
i.e. As x↑, ψII(x) ↓
When Vo↑, damping will also ↑.
(γ = )
If the potential barrier is moderately high and relatively narrow, tunnelling
will take place.
• The penetration of a potential barrier by an electron wave is called
‘tunnelling’.
• Tunnelling is a quantum mechanics effect.
ψI = ψII at x=0.
+=
i.e. A+B = D (at x=0)
jα -jα = - γ.
-= - γ.
x=0, Aj
A=(1+j)
B=(1-j)
ψ I and ψ II can be expressed in terms of a constant D.
Tunneling probability,
T=16()(1- )
Where γ =
• This result implies that there is a finite probability that the incident particle will penetrate
the potential barrier and exist in region II.
• The probability of a particle penetrating the potential barrier is another difference between
classical and quantum mechanics.
• The quantum mechanical penetration is classically not allowed.

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Schrodinger Equation

 Electron bound to its nucleus

 Assume the electron propagates in x direction

4A2 (sin )2=

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