Born-Mayer interatomic potential for atoms with Z=2 to Z=36

被引：127

作者：

Gaydaenko, V. I.

Nikulin, V. K.

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 7卷 / 03期

关键词：

D O I：

10.1016/0009-2614(70)80183-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：360 / 362

页数：3

共 11 条

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