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- W2009709007 abstract "SCF calculations on hydrogen fluoride are presented for four different bases of Gaussian functions. The results suggest that a Gaussian 58+3p basis may prove superior to a minimal STO basis in many respects, though giving a slightly worse total energy. For more accurate calculations, a Gaussian basis rather less than twice as large as the STO basis should give comparable results. Computationally, this implies that for larger diatomic and all polyatomic calculations, a Gaussian basis is to be preferred for many applications." @default.
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- W2009709007 date "1964-07-15" @default.
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- W2009709007 title "Gaussian Wavefunctions for the 10‐Electron Systems. II. Hydrogen Fluoride" @default.
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- W2009709007 doi "https://doi.org/10.1063/1.1725897" @default.
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