ANALYTIC GRADIENTS FROM CORRELATED WAVE-FUNCTIONS VIA THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH

被引：344

作者：

BROOKS, BR ^{[1
]}

LAIDIG, WD ^{[1
]}

SAXE, P ^{[1
]}

GODDARD, JD ^{[1
]}

YAMAGUCHI, Y ^{[1
]}

SCHAEFER, HF ^{[1
]}

机构：

[1] UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712

来源：

JOURNAL OF CHEMICAL PHYSICS | 1980年 / 72卷 / 08期

关键词：

D O I：

10.1063/1.439707

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：

[No abstract available]

引用

页码：4652 / 4653

页数：2

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[7] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].

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