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
收藏
页码：51 / 141
页数：91
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