A NEW APPROXIMATION FOR SLATER AVERAGED HARTREE-FOCK EXCHANGE POTENTIAL

被引：1

作者：

MALKINA, OL

GRITSENKO, OV

ZHIDOMIROV, GM

机构：

[1] Institute of Catalysis, Novosibirsk

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 171卷 / 03期

关键词：

D O I：

10.1016/0009-2614(90)85225-2

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：

A new CFθ approximation for Slater's averaged Hartee-Fock exchange potential is proposed, VCFθ, VXα and averaged Hartree-Fock exchange potentials for the Be atom and the LiH molecule are compared. The values of the CFθ parameter β for atoms from H to Kr are presented. A scheme of a one-electron method based on the CFθ approximation is given. © 1990.

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页码：191 / 196

页数：6

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