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A Hartree-Fock Program for Atomic Structure Calculations

Mitroy, J


The Hartree-Fock equations for a general open shell atom are described. The matrix equations that result when the single particle orbitals are written in terms of a linear combination of analytic basis functions are derived. Attention is paid to the complexities that occur when open shells are present. The specifics of a working FORTRAN program which is available for public use are described. The program has the flexibility to handle either Slater-type orbitals or Gaussian-type orbitals.

CollectionsANU Research Publications
Date published: 1999
Type: Journal article
Source: Australian Journal of Physics


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