The discrete variational method in density functional theory and its applications to large molecules and solid-state systems

被引：66

作者：

Ellis, DE

Guenzburger, D

机构：

[1] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA

[2] Northwestern Univ, Ctr Mat Res, Evanston, IL 60208 USA

[3] Ctr Brasileiro Pesquisas Fis, BR-22290180 Rio De Janeiro, Brazil

来源：

ADVANCES IN QUANTUM CHEMISTRY, VOL 34 | 1999年 / 34卷

关键词：

density functional; electronic structure; molecules; solids;

D O I：

10.1016/S0065-3276(08)60531-6

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：

引用

页码：51 / 141

页数：91

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