NEWTON-RAPHSON APPROACHES AND GENERALIZATIONS IN MULTICONFIGURATIONAL SELF-CONSISTENT FIELD CALCULATIONS

被引:27
|
作者
YEAGER, DL [1 ]
LYNCH, D [1 ]
NICHOLS, J [1 ]
JORGENSEN, P [1 ]
OLSEN, J [1 ]
机构
[1] AARHUS UNIV,DEPT CHEM,DK-8000 AARHUS C,DENMARK
来源
JOURNAL OF PHYSICAL CHEMISTRY | 1982年 / 86卷 / 12期
关键词
D O I
10.1021/j100209a006
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:2140 / 2153
页数:14
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