Atomic Physics Problem
Write a program in FORTRAN77 that calculates the
lowest eigenvalue and eigenfunction of an isolated C5+
ion (carbon atom with only one electron) in the Local
Density Approximation (LDA). Use the popular Ceperley-Alder
exchange-correlation functional in the Perdew-Zunger parametrization.
Note that what counts in this exercise are YOUR program and results
in LDA, which may well differ from the exact results. Writing such a code
requires basic understanding of quantum mechanics, symmetry,
programming skills, and familiarity with standard Density Functional
approaches.
Applicants for a
post-doctoral position at the CNL should submit
- the FORTRAN77 source code
- the lowest eigenvalue energy in eV
- the plot of the the lowest eigenfunction
- a PowerPoint/pdf file containing a detailed discussion of the
computational approach used and the results.
Writing a corresponding program from scratch should take no more than
2-3 days and is a good exercise. Submit your solution of this problem to
tomanek@pa.msu.edu
in order to be considered for the
advertised position.
|
