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Born-Mayer interatomic potential for atoms withZ= 2 toZ= 36

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
7
Issue
3
Identifiers
DOI: 10.1016/0009-2614(70)80183-x

Abstract

Abstract Repulsive interatomic potentials for pairs of like neutral ground-state atoms are calculated on the basis of the statistical theory, the electron densities of atoms being taken from free-atom Hartree-Fock (HF) calculations. The results of numerical calculations are expressed in the Born-Mayer form in one or two intervals of internuclear separations and appropriate parameters of this fitting are tabulated.

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