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The α and α parameters for spin polarized Hartree–Fock–Slater calculations
Authors:W Lees  S Manoli  M A Whitehead
Abstract:αurn:x-wiley:01928651:media:JCC540060109:tex2gif-stack-3 and αurn:x-wiley:01928651:media:JCC540060109:tex2gif-stack-4 are derived for use in spin polarized Hartree–Fock–Slater programs. They are assumed to depend only on the number of up and down spin electrons in the atom. The calculated eigenvalues show a slight improvement only for carbon, nitrogen, and oxygen.
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