EXCHANGE-CORRELATION POTENTIAL FOR SMALL ATOMS

被引：34

作者：

CHEN, JQ ^{[1
]}

ESQUIVEL, RO ^{[1
]}

STOTT, MJ ^{[1
]}

机构：

[1] QUEENS UNIV, DEPT PHYS, KINGSTON K7L 3N6, ONTARIO, CANADA

来源：

PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES | 1994年 / 69卷 / 05期

关键词：

D O I：

10.1080/01418639408240169

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The Kohn-Sham effective potentials have been obtained for some light atoms. Using as input good-quality Hartree-Fock and configuration interaction densities, we deduce the corresponding Kohn-Sham potentials and the exchange and correlation contributions. The Be isoelectronic series has been studied and some general features are apparent.

引用

页码：1001 / 1009

页数：9

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