Sum rules for exchange and correlation energy functional in the current-density functional theory

被引：0

作者：

Higuchi, K ^{[1
]}

Fukue, N

Kodama, H

Higuchi, M

机构：

[1] Hiroshima Univ, Dept Elect Engn, Higashihiroshima 7398527, Japan

[2] Tohoku Univ, Dept Phys, Sendai, Miyagi 9808578, Japan

来源：

JOURNAL OF THE KOREAN PHYSICAL SOCIETY | 2002年 / 40卷 / 06期

关键词：

density functional theory;

D O I：

暂无

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Various kinds of sum rules for the exchange-correlation energy functional E-xc[rho, j(p)] of the current-density functional theory (CDFT) are investigated systematically. A set of new sum rules is obtained by considering the behavior of the correlation energy functional under a nonuniform coordinate scaling of electrons. In addition, we derive another set of sum rules which give the upper and the lower limits of E-xc[rho, j(p)]. These sum rules can be employed as a constraint in developing an approximate form for E-xc[rho, j(p)].

引用

页码：1060 / 1063

页数：4

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