Carbon Ion Problem
To prove your programming skills, write a program in FORTRAN77 or any other
high-level programming language 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 result. Writing such a code
requires basic understanding of quantum mechanics, symmetry,
programming skills, and basic familiarity with the treatment of
electron-electron interactions in Density Functional Theory.
Applicants for a
post-doctoral position at the CNL should submit
- the source code in FORTRAN77 or any high-level programming language
- the lowest eigenvalue energy in eV
- the total energy of the ion in eV
- a plot of 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.
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