Potentials for some rare gas and alkali-helium systems calculated from the surface integral method

被引:90
作者
Kleinekathofer, U
Tang, KT
Toennies, JP
Yiu, CL
机构
[1] PACIFIC LUTHERAN UNIV,DEPT PHYS,TACOMA,WA 98447
[2] PACIFIC LUTHERAN UNIV,DEPT MATH,TACOMA,WA 98447
关键词
D O I
10.1016/0009-2614(95)01388-1
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 van der Waals potential curves of H-2((3) Sigma), He-2, Ne-2, HeNe, HHe, LiHe, NaHe, KHe, RbHe and CsHe have been calculated using a recently derived simple: analytical formula. The repulsive potential is based on exchange energies calculated from the surface integral method applied to multielectron systems. With the exception of the long-range dispersion coefficients, all the input parameters are atomic properties of the free constituent atoms. The calculated curves agree well with both experimental and ab initio theoretical data.
引用
收藏
页码:257 / 263
页数:7
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