REPULSIVE ION ATOM AND ION ION POTENTIALS FROM CHARGE-DENSITY OVERLAP INTEGRALS

被引：14

作者：

NYELAND, C ^{[1
]}

TANG, KT ^{[1
]}

TOENNIES, JP ^{[1
]}

机构：

[1] MAX PLANCK INST STROMUNGSFORSCH,W-3400 GOTTINGEN,GERMANY

来源：

CHEMICAL PHYSICS | 1990年 / 147卷 / 2-3期

关键词：

D O I：

10.1016/0301-0104(90)85040-4

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：

The short-range repulsive potentials for different combinations of the alkali ions Na+, K+, Rb+ and Cs+ and inert gas atoms, and between the same alkali ions are estimated using a recently suggested combining rule procedure. The comparison with ab initio first-order SCF calculations indicates an error of less than 20% for the combining rule procedure. Well parameters for the full potentials for the alkali ion-inert gas systems including the damped dispersion and polarizability terms are given and compared with values from ion mobility and ion beam experiments. © 1990.

引用

页码：229 / 240

页数：12

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