AB-INITIO AND SEMIEMPIRICAL SCF-MO COMPUTATIONS FOR N+4 - COMPARISON OF SPIN UNRESTRICTED AND SPIN RESTRICTED METHODS

被引：14

作者：

CONWAY, DC ^{[1
]}

机构：

[1] TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843

来源：

JOURNAL OF CHEMICAL PHYSICS | 1975年 / 63卷 / 05期

关键词：

D O I：

10.1063/1.431604

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：2219 / 2222

页数：4

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