Scribd
Upload
7 views16 pages

3D Infinite Potential Box Analysis

Chapter 3 discusses the concept of an infinite potential box in quantum physics, focusing on the behavior of a particle, such as an electron, within a three-dimensional box. It introduces the Time-Independent Schrödinger Equation (TISE) and explains how it can be separated into three one-dimensional equations, leading to quantized energy levels based on boundary conditions. The chapter also covers the normalization of wavefunctions and the concept of degeneracy in energy levels.

Uploaded by

ANIME Bangladesh
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
7 views16 pages

3D Infinite Potential Box Analysis

Chapter 3 discusses the concept of an infinite potential box in quantum physics, focusing on the behavior of a particle, such as an electron, within a three-dimensional box. It introduces the Time-Independent Schrödinger Equation (TISE) and explains how it can be separated into three one-dimensional equations, leading to quantized energy levels based on boundary conditions. The chapter also covers the normalization of wavefunctions and the concept of degeneracy in energy levels.

Uploaded by

ANIME Bangladesh
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

Chapter 3: Elementary Quantum Physics

………….. Continue

1
3.6 Infinite Potential Box

Potential Box:
0 0 ≤ 𝑥 ≤ 𝑎, 0 ≤ 𝑦 ≤ 𝑏, and 0 ≤ 𝑧 ≤ 𝑐
• 𝑉 𝑥 =
∞ otherwise

• Consider a particle (electron) inside the box.

• What can be the behavior of the particle in this box?

• This is  3D version of the 1D infinite potential well. 2


3D TISE
The TISE for this case is:

• Assume: the wavefunction is variable-separable

• The TISE inside the box becomes:


ħ2 𝑑2 𝑋 𝑑2 𝑌 𝑑2 𝑍
− 2𝑚 𝑌𝑍 𝑑𝑥 2 + 𝑍𝑋 𝑑𝑦 2 + 𝑋𝑌 𝑑𝑧 2 = 𝐸𝑋𝑌𝑍

ħ2 1 𝑑 2 𝑋 1 𝑑2 𝑌 1 𝑑2 𝑍
− 2𝑚 𝑋 𝑑𝑥 2 + 𝑌 𝑑𝑦 2 + =𝐸
𝑍 𝑑𝑧 2

• The first term only depends on x, and must be constant, because the RHS
does not contain x.
3
3 Independent 1D Infinite Potential Well

ħ2 1 𝑑 2 𝑋 1 𝑑2 𝑌 1 𝑑2 𝑍
• − + + =𝐸
2𝑚 𝑋 𝑑𝑥 2 𝑌 𝑑𝑦 2 𝑍 𝑑𝑧 2

• So, it has 3 1D equations to be solved:


ħ2 1 𝑑 2 𝑋 ħ2 𝑑 2 𝑋
− = 𝐸𝑥 ⇒ − = 𝐸𝑥 𝑋
2𝑚 𝑋 𝑑𝑥 2 2𝑚 𝑑𝑥 2
ħ2 1 𝑑 2 𝑌 ħ2 𝑑 2 𝑌
− = 𝐸𝑦 ⇒ − = 𝐸𝑦 𝑌
2𝑚 𝑌 𝑑𝑦 2 2𝑚 𝑑𝑦 2
ħ2 1 𝑑 2 𝑍 ħ2 𝑑 2 𝑍
− = 𝐸𝑧 ⇒ − = 𝐸𝑧 𝑍
2𝑚 𝑍 𝑑𝑧 2 2𝑚 𝑑𝑧 2

where, 𝐸𝑥 + 𝐸𝑦 + 𝐸𝑧 = 𝐸

• Interpretation of Ex: component of energy (kinetic energy, as V=0) from


motion in x-direction only

4
Individual Solutions
The equations can be written as:
𝑑2 𝑋 2
= −𝑘𝑥 𝑋
𝑑𝑥 2
𝑑2 𝑌 2
= −𝑘 𝑦 𝑌
𝑑𝑦 2
𝑑2 𝑍 2
= −𝑘 𝑧 𝑍
𝑑𝑧 2

• Their solutions:
𝑋 = 𝐴1 sin(𝑘𝑥 𝑥), 𝑌 = 𝐴2 sin(𝑘𝑦 𝑦), and 𝑍 = 𝐴3 sin(𝑘𝑧 𝑧)

• The total wavefunction:


• 𝜓 𝑥, 𝑦, 𝑧 = 𝑋𝑌𝑍 = 𝐴 sin(𝑘𝑥 𝑥)sin(𝑘𝑦 𝑦) sin(𝑘𝑧 𝑧),

5
Wavefunction
Applying the BCs:

• At, 𝑥 = 𝑎, 𝜓(𝑥, 𝑦, 𝑧) = 0 gives:


𝑘𝑥 𝑎 = 𝑛1 𝜋 for 𝑛1 = 1, 2, … . .
𝑛 𝜋
𝑘𝑥 = 1
𝑎
• Similarly, applying other BCs:
𝑛 𝜋 𝑛 𝜋
𝑘𝑦 = 2 , and 𝑘𝑧 = 3
𝑏 𝑐

• Here, 𝑛1 , 𝑛2 , and 𝑛3 are quantum numbers (each starting from 1)

• Electron wavefunction in 3D infinite QW:

6
Normalization

7
Quantized Energies
• The energy expression can be found by plugging the wavefunction into the
SE
2𝑚
(𝑘𝑥 2 + 𝑘𝑦 2 + 𝑘𝑧 2 ) = 2 𝐸
ħ
2
ħ2 2 2 ℎ2 𝑛1 2 𝑛2 2 𝑛3 2
Or, 𝐸𝑛1𝑛2 𝑛3 = (𝑘𝑥 + 𝑘𝑦 + 𝑘𝑧 ) = ( + + )
2𝑚 8𝑚 𝑎2 𝑏2 𝑐2

• For a square box (I mean, cube): (a=b=c)

ℎ2 2+𝑛 2+𝑛 2 =
ℎ 2
2
𝐸𝑛1𝑛2 𝑛3 = 𝑛1 2 3 𝑁
8𝑚𝑎2 8𝑚𝑎2

here, 𝑁 2 = 𝑛1 2 + 𝑛2 2 + 𝑛3 2

• So, in 3D, we have 3 quantum numbers each arising from the BC along
one of the coordinates.

8
Degenerate States

• The number of states that have the same energy is termed the degeneracy of
that energy level.

• How many states (eigenfunction


• s) are there at energy level E443 for a square potential energy box?

9
Hydrogenic Atom

10
Finding Wavefunctions

11
12
Quantum Numbers

13
Radial Function and Spherical Harmonic for Hydrogenic Atoms

14
Radial Function and Probability

15
Spherical Harmonics and Angular Dependence of the Probability

16

You might also like