OPTIMIZATION OF WAVE-FUNCTION AND GEOMETRY IN THE FINITE BASIS HARTREE-FOCK METHOD

被引：59

作者：

HEADGORDON, M ^{[1
]}

POPLE, JA ^{[1
]}

机构：

[1] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1988年 / 92卷 / 11期

关键词：

D O I：

10.1021/j100322a012

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

页码：3063 / 3069

页数：7

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