SPIN-RESTRICTED OPEN-SHELL SELF-CONSISTENT-FIELD THEORY

被引:164
|
作者
DAVIDSON, ER [1 ]
机构
[1] UNIV WASHINGTON,CHEM DEPT,SEATTLE,WA 98195
关键词
D O I
10.1016/0009-2614(73)80309-4
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:565 / 567
页数:3
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