MC SCF MOLECULAR GRADIENTS AND HESSIANS - COMPUTATIONAL ASPECTS

被引:16
作者
BANERJEE, A [1 ]
JENSEN, JO [1 ]
SIMONS, J [1 ]
SHEPARD, R [1 ]
机构
[1] ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
关键词
D O I
10.1016/0301-0104(84)85046-6
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:203 / 214
页数:12
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