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Quantum Mechanics: Particle in a Box

The document discusses the quantum mechanics concept of a particle in a box, detailing the mathematical framework including the Schrödinger equation and boundary conditions. It presents the general solution for the wave function and normalization conditions for a particle confined in a one-dimensional box. The document also includes derivations for energy levels and the wave function in terms of sine functions.

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Dayal & Son's Classes of Chemical Sciences
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4 views2 pages

Quantum Mechanics: Particle in a Box

The document discusses the quantum mechanics concept of a particle in a box, detailing the mathematical framework including the Schrödinger equation and boundary conditions. It presents the general solution for the wave function and normalization conditions for a particle confined in a one-dimensional box. The document also includes derivations for energy levels and the wave function in terms of sine functions.

Uploaded by

Dayal & Son's Classes of Chemical Sciences
Copyright
© All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd

Particle in a Box

12
C=C–C=C–C=C
|← a →| 10

HΨ = E Ψ 8

En/(h2/8ma2)
6
– -h2 d2
2m dx2 Ψ + V(x)Ψ = E Ψ 4

– -h2 d2 2
2m dx2 Ψ = E Ψ
0
for 0 ≤ x ≤ a 0 2 4
x (Å) →
6 8 10

dΨ d 2Ψ 2
A sin kx : dx = A k cos kx dx2 = – A k sin kx
dΨ d 2Ψ 2
B cos kx : dx = – B k sin kx dx2 = – B k cos kx
LHS: RHS:
– -h2 2
2m (– A k sin kx ) = E A sin kx
-h2k2 (2mE)½
E = 2m k= -h

General Solution: Ψ(x) = A sin kx + B cos kx


cos π/2 = 0
Boundary Conditions: at x = 0: Ψ(x) = 0 cos(0) = 1 so B = 0 sin π/2 = 1

at x = a: Ψ(x) = 0 π/2

Ψ(a) = A sin ka = 0 so k = nπ/a cos 0 = 1


cos π = -1 sin 0 = 0
π
sin π = 0 x cos 2π = 1
nπx sin 2π = 0
n=1 kx = a at a: ka = π
3π/2
n=2 ka = 2π
cos 3π/2 = 0
n2 -h2π2 n2h2 sin 3π/2 = -1
E = 2ma2 = 8ma2
∞
Normalization ⌠ Ψ2 dx = 1
⌡-∞

Colby College
a
⌠ nπx
= A2  sin2 a  dx = 1 for particle in the box.
⌡ 0
 

nπx dy nπ a a
let y = a then dx = a and rearranging gives x= nπ y and dx = nπ dy
and when x = 0 to a, then y = 0 to nπ.
Substituting to change variables gives:
 a  nπ
A2 nπ ⌠ sin 2
(y) dy = 1
  ⌡0
Looking up the integral in the CRC: ∫ sin2(x) dx = – ½ sin x cos x + ½ x
Substituting gives:
a
A2 nπ (– ½ sin y cos y + ½ y |nπ
0 = 1
 
Note that sin(0) = 0 and sin(nπ)=0.
Evaluating the result at the endpoints gives:
 a  nπ a
A2 nπ  2  = A2 2 = 1
  

2½
A = a 
 

2½ nπx
Ψn(x) = a  sin a 
   

Colby College

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