Local correlation energies of two-electron atoms and model systems

被引：64

作者：

Huang, CJ ^{[1
]}

Umrigar, CJ ^{[1
]}

机构：

[1] CORNELL UNIV, CTR THEORY, ITHACA, NY 14853 USA

来源：

PHYSICAL REVIEW A | 1997年 / 56卷 / 01期

关键词：

D O I：

10.1103/PhysRevA.56.290

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

We present nearly local definitions of correlation energy density, and its potential and kinetic components, and evaluate them for several two-electron systems. This information should provide valuable guidance in constructing better correlation functionals than those in common use. In addition, we demonstrate that the quantum chemistry and the density-functional definitions of the correlation energy rapidly approach one another as the atomic number increases.

引用

收藏

页码：290 / 296

页数：7

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