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- W2051924466 abstract "Estimates of atomic size and electronegativity are obtained directly from first-principles calculations of the atomic valence electronic charge density. Significant information about the bonding in the solid state is extracted from the computed atomic parameters, and a first-principles mapping to the semiempirical Pauling ionicity scale is presented." @default.
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- W2051924466 date "1993-02-15" @default.
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- W2051924466 title "First-principles ionicity scales. II. Structural coordinates from atomic calculations" @default.
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- W2051924466 doi "https://doi.org/10.1103/physrevb.47.4221" @default.
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