Hydrogen Atom Problem

To prove your programming skills, write a program in FORTRAN77 that calculates the lowest eigenvalue of an isolated hydrogen atom 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 graduate research associate position at the CNL should submit

• the FORTRAN77 source code
• the lowest eigenvalue energy in eV
• the total energy of the atom in eV
• a PowerPoint/pdf file containing a detailed discussion of the computational approach used and the results.