A Hartree–Fock Program for Atomic Structure Calculations

James Mitroy

    Research output: Contribution to journalComment/debate


    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.
    Original languageEnglish
    Pages (from-to)973-997
    Number of pages25
    JournalAustralian Journal of Physics
    Issue number6
    Publication statusPublished - 1999


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