THE ANALYTIC EVALUATION OF ENERGY 1ST DERIVATIVES FOR 2-CONFIGURATION SELF-CONSISTENT-FIELD CONFIGURATION-INTERACTION (TCSCF-CL) WAVE-FUNCTIONS - APPLICATION TO OZONE AND ETHYLENE

被引：137

作者：

LEE, TJ ^{[1
]}

ALLEN, WD ^{[1
]}

SCHAEFER, HF ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 87卷 / 12期

关键词：

D O I：

10.1063/1.453352

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：7062 / 7075

页数：14

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