Semiclassical origins of density functionals

被引：86

作者：

Elliott, Peter ^{[1
]}

Lee, Donghyung

Cangi, Attila

Burke, Kieron

机构：

[1] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA

[2] Univ Calif Irvine, Dept Phys, Irvine, CA 92697 USA

来源：

PHYSICAL REVIEW LETTERS | 2008年 / 100卷 / 25期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1103/PhysRevLett.100.256406

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The relation between semiclassical and density-functional approximations is clarified. Semiclassical approximations both explain and improve upon density-gradient expansions for finite systems. We derive highly accurate density and kinetic energy functionals of the potential in one dimension.

引用

页数：4

共 20 条

[1] KOHN-SHAM EXCHANGE POTENTIAL EXACT TO 1ST ORDER IN RHO(K)/RHO0 [J].