R P McEachran, Craig E. Tull, M. Cohen
Abstract
Properties of the frozen core approximation for atomic systems containing one valence electron in addition to completely filled shells are derived. It is shown that, in addition to computational convenience, the procedure enjoys certain theoretical advantages over the standard Hartree–Fock approximation.
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Properties of the frozen core approximation for atomic systems containing one valence electron in addition to completely filled shells are derived. It is shown that, in addition to computational convenience, the procedure enjoys certain theoretical advantages over the standard Hartree–Fock approximation.
Key concepts: Physics, Atomic physics, Core (optical fiber), Ion, Valence (chemistry), Valence electron, Core electron, Atomic theory