EFFICIENT OPTIMIZATION OF LARGE-SCALE MCSCF WAVE-FUNCTIONS WITH A RESTRICTED STEP ALGORITHM

被引：104

作者：

JENSEN, HJA ^{[1
]}

JORGENSEN, P ^{[1
]}

AGREN, H ^{[1
]}

机构：

[1] UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 87卷 / 01期

关键词：

D O I：

10.1063/1.453590

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

页码：451 / 466

页数：16

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