EXPONENTIAL TRANSFORMATION OF MOLECULAR-ORBITALS - QUADRATICALLY CONVERGENT SCF PROCEDURE .1. GENERAL FORMULATION AND APPLICATION TO CLOSED-SHELL GROUND-STATES

被引：73

作者：

DOUADY, J

ELLINGER, Y

SUBRA, R

LEVY, B

机构：

[1] CEN,CEA,DEPT RECH FONDAMENTALE,CHIM ORGAN PHYS LAB,EQUIPE RECH 20,F-38041 GRENOBLE,FRANCE

[2] IBM CORP,RES LAB,SAN JOSE,CA 95193

[3] ECOLE NORM SUPER JEYNES FILLES,CHIM LAB,EQUIPE RECH 470,F-92120 MONTROUGE,FRANCE

来源：

JOURNAL OF CHEMICAL PHYSICS | 1980年 / 72卷 / 03期

关键词：

D O I：

10.1063/1.439369

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：1452 / 1462

页数：11

相关论文

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