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

被引：126

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

[1] BORN-MAYER-TYPE INTERATOMIC POTENTIAL FOR NEUTRAL GROUND-STATE ATOMS WITH Z = 2 TO Z = 105
ABRAHAMSON, AA
[J]. PHYSICAL REVIEW, 1969, 178 (01): : 76 - +
[2] AMDUR I, 1966, ADV CHEM PHYS, V10, P29
[3] SINGLE-CONFIGURATION WAVEFUNCTIONS AND POTENTIAL CURVES FOR GROUND STATES OF HE2 NE2 AND AR2
GILBERT, TL
WAHL, AC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (09) : 3425 - &
[4] Gombas P., 1949, STAT THEORIE ATOMS I
[5] Hirschfelder JO., 1954, MOL THEORY GASES LIQ
[6] ELECTRIC DIPOLE MOMENTS OF RARE-GAS DIATOMIC MOLECULES
MATCHA, RL
NESBET, RK
[J]. PHYSICAL REVIEW, 1967, 160 (01): : 72 - &
[7] NIKULIN VK, 1969, VI ICPEAC, P520
[8] NIKULIN VK, IN PRESS ZH TEKHN FI
[9] STRAND TG, 1964, J CHEM PHYS, V40, P1689
[10] WEDEPOHL PT, 1968, P PHYS SOC LOND B, V2, P307

← 1 2 →