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• W2018397798 abstract "We compare the Hartree-Fock wave-functions for crystalline LiH obtained either with a standard Crystalline-Orbital—LCAO procedure or following the Adams-Gilbert-Kunz (AGK) prescription. Total energy, band-structure, reciprocal form factors [B(r)] are taken as a reference, for checking the quality of the wave-function. The influence of the inclusion of high angular-quantum-number functions in the AGK basis set is explored." @default.
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• W2018397798 date "1992-09-01" @default.
• W2018397798 modified "2023-10-18" @default.
• W2018397798 title "Comparison of quasi-Hartree-Fock wave-functions for lithium hydride" @default.
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• W2018397798 doi "https://doi.org/10.1016/0038-1098(92)90152-y" @default.
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