THE UNRESTRICTED NATURAL ORBITAL-COMPLETE ACTIVE SPACE (UNO-CAS) METHOD - AN INEXPENSIVE ALTERNATIVE TO THE COMPLETE ACTIVE SPACE-SELF-CONSISTENT-FIELD (CAS-SCF) METHOD

被引：212

作者：

BOFILL, JM

PULAY, P

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1989年 / 90卷 / 07期

关键词：

D O I：

10.1063/1.455822

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

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页码：3637 / 3646

页数：10

相关论文

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