LOCALIZED MOLECULAR-ORBITALS FOR POLYATOMIC-MOLECULES .1. COMPARISON OF EDMISTON-RUEDENBERG AND BOYS LOCALIZATION METHODS

被引：170

作者：

KLEIER, DA ^{[1
]}

HALGREN, TA ^{[1
]}

HALL, JH ^{[1
]}

LIPSCOMB, WN ^{[1
]}

机构：

[1] HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138

来源：

JOURNAL OF CHEMICAL PHYSICS | 1974年 / 61卷 / 10期

关键词：

D O I：

10.1063/1.1681683

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：3905 / 3919

页数：15

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