A 2ND ORDER MULTICONFIGURATION SCF PROCEDURE WITH OPTIMUM CONVERGENCE

被引：2969
作者：
WERNER, HJ [1 ]
KNOWLES, PJ [1 ]
机构：
[1] UNIV CAMBRIDGE, CHEM LAB, CAMBRIDGE CB2 1EW, ENGLAND
来源：
JOURNAL OF CHEMICAL PHYSICS | 1985年 / 82卷 / 11期
关键词：
D O I：
10.1063/1.448627
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：5053 / 5063
页数：11
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