A 2ND ORDER MULTICONFIGURATION SCF PROCEDURE WITH OPTIMUM CONVERGENCE

被引：2925

|

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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