ANALYTIC 2ND DERIVATIVES IN RESTRICTED HARTREE-FOCK THEORY - A METHOD FOR HIGH-SPIN OPEN-SHELL MOLECULAR WAVE-FUNCTIONS

被引：229

作者：

SAXE, P ^{[1
]}

YAMAGUCHI, Y ^{[1
]}

SCHAEFER, HF ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB, BERKELEY, CA 94720 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1982年 / 77卷 / 11期

关键词：

D O I：

10.1063/1.443771

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：5647 / 5654

页数：8

相关论文

共 46 条

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