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• W1979399541 abstract "Electron density maps for series of diatomic alkali halide molecules are determined from near-Hartree–Fock wavefunctions. The charge distributions in these molecules are analyzed in terms of the total-molecular density and density-difference maps. The outermost orbital is found to play a dominant role in the ionic bonding. Finally, the changes in the distributions at various internuclear separations and the relation of density quantities to binding and antibinding regions are discussed." @default.
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• W1979399541 date "1975-08-15" @default.
• W1979399541 modified "2023-10-17" @default.
• W1979399541 title "Electron distributions and ionic binding in series of alkali halide molecules" @default.
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• W1979399541 doi "https://doi.org/10.1063/1.431488" @default.
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