A combined analytical and numerical strategy to solve the atomic Hartree-Fock equations in momentum space

Laurent deWindt, Patrick Fischer, Mireille Defranceschi, Joseph Delhalle, Joseph Fripiat

    Research output: Contribution to journalArticle

    Abstract

    The momentum representation offers new opportunities to obtain high quality approximate solutions to the Hartree-Fock equations. The self-consistent field method is applied here to the ground states of four- (Li-, Be, and B+) and ten- (F-, Ne, and Na+) electron atoms in momentum space. Analytical calculations using momentum space gaussian functions, together with Gauss quadrature and gaussian fit, are combined to compute the atomic Hartree-Fock orbitals.
    Original languageEnglish
    Pages (from-to)266-274
    Number of pages9
    JournalJournal of computational physics
    Volume111
    Issue number2
    DOIs
    Publication statusPublished - 1993

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