THE COMPLETE ACTIVE SPACE SCF (CASSCF) METHOD IN A NEWTON-RAPHSON FORMULATION WITH APPLICATION TO THE HNO MOLECULE

被引：1064

作者：

SIEGBAHN, PEM

ALMLOF, J

HEIBERG, A

ROOS, BO

机构：

[1] UNIV OSLO,DEPT CHEM,OSLO,NORWAY

[2] CHEM CTR,S-22007 LUND 7,SWEDEN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1981年 / 74卷 / 04期

关键词：

D O I：

10.1063/1.441359

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：2384 / 2396

页数：13

相关论文

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