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PH 509 Computational Physics: Reading: Giordano's Book, Sec 10.1, 10.2

The document provides instructions for three assignments in a computational physics lab due on February 18, 2022. The assignments are: 1) Use the shooting method to calculate the lowest six energy levels and wavefunctions of a square well potential and examine how the energy varies with level number and spatial step size. 2) Use shooting and matching methods to calculate energy levels for an x^n potential as n becomes large, approximating an infinite square well. 3) Calculate the first few energy levels and wavefunctions for a potential that is harmonic at small x and anharmonic at large x, comparing to results for a harmonic and anharmonic oscillator.

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SUBHASISH GUHA
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52 views2 pages

PH 509 Computational Physics: Reading: Giordano's Book, Sec 10.1, 10.2

The document provides instructions for three assignments in a computational physics lab due on February 18, 2022. The assignments are: 1) Use the shooting method to calculate the lowest six energy levels and wavefunctions of a square well potential and examine how the energy varies with level number and spatial step size. 2) Use shooting and matching methods to calculate energy levels for an x^n potential as n becomes large, approximating an infinite square well. 3) Calculate the first few energy levels and wavefunctions for a potential that is harmonic at small x and anharmonic at large x, comparing to results for a harmonic and anharmonic oscillator.

Uploaded by

SUBHASISH GUHA
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd
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PH 509 Computational Physics

2021-22 Semester-II, Lab - 04


Assignments are due on Friday (18 February 2022) by 08:00 am

1. Use the shooting method to obtain the lowest six energy levels for a square well. This
will require that you write a program that can deal with both even- and odd- parity
solutions. Examine how the energy varies with level number and test your values
against the exact results,

2 2
ħ𝑘 (2𝑛 −1)π 𝑛π
𝐸 = 2𝑚
, 𝑘+ = 2𝐿
, 𝑘− = 𝐿
, where, 𝑛 = 1, 2, 3, ...

Compare the wavefunctions (make sure that they are properly normalized) with the
exact solution,
𝐴
ψ+ = 2
[𝑒𝑥𝑝(𝑖𝑘+𝑥) + 𝑒𝑥𝑝(− 𝑖𝑘+𝑥) ] = 𝐴 cos(𝑘+𝑥)
𝐴
ψ− = 2
[𝑒𝑥𝑝(𝑖𝑘−𝑥) − 𝑒𝑥𝑝(− 𝑖𝑘−𝑥) ] = 𝐴 sin(𝑘−𝑥)

It is also instructive to examine the behavior as a function of a spatial step size △𝑥.
Study how the value of ground state varies with the choice of step size; try
△𝑥 = 0. 05 , 0. 01, 𝑎𝑛𝑑 0. 005, for a box with walls at 𝑥 = ± 1.
Reading: Giordano’s book, sec 10.1, 10.2.

2. Use both the shooting and the matching method to calculate the energy levels for the
𝑛
potential 𝑉 = 𝑥 for different values of 𝑛. As 𝑛 becomes very large this potential
approximates an infinite square well.

3. Calculate the first few energy levels and associated wave functions for a potential of
2 4
the form 𝑉 = (𝑘1𝑥 + 𝑘2𝑥 )/2. For small 𝑥 the first term dominates, and the behavior
is close to that found for the harmonic oscillator, while for large 𝑥, the second term
dominates and the behavior is anharmonic. Some typical results for the energy levels
in this case are given in figure below,
2
Figure: Lowest few energy levels for a harmonic oscillator (𝑉 = 𝑘𝑥 /2, 𝑘 = 1) and
2 4
an anharmonic oscillator [ 𝑉 = (𝑘1𝑥 + 𝑘2𝑥 )/ 2 , 𝑘1 = 1, 𝑘2 = 1 ]. Note that for
the harmonic case the energy varies linearly with the level number (which agrees
with the analytical solution). For anharmonic case the corresponding energies are
shifted to progressively higher values. For the higher levels the wave function has
more of its “weight” at larger values of 𝑥 (classically speaking the vibration amplitude
is higher) where the potential is higher due to the anharmonic term, and this pushes
the energy higher than in the harmonic case.

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