About the Difference Between Density Functionals Defined by Energy Criterion and Density Functionals Defined by Density Criterion: Exchange Functionals

被引：3

作者：

Finzel, Kati ^{[1
]}

机构：

[1] Linkoping Univ, Dept Phys IFM, S-58183 Linkoping, Sweden

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2016年 / 116卷 / 15期

关键词：

potential functional theory; exact exchange; ATOMIC SHELL STRUCTURE; KOHN-SHAM; ELECTRON-DENSITIES; WAVE-FUNCTIONS; HARTREE-FOCK; APPROXIMATION;

D O I：

10.1002/qua.25155

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 difference between density functionals defined by energy criterion and density functionals defined by density criterion is studied for the exchange functional. It is shown that Slater potentials are exact exchange potentials in the sense that they yield the Hartree-Fock electron density if all operators are given by local expressions. (C) 2016 Wiley Periodicals, Inc.

引用

页码：1187 / 1189

页数：3

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