CRITICAL STUDY OF BASIS SET EFFECTS AND USE OF APPROXIMATE NATURAL ORBITALS IN SCF-CI CALCULATIONS OF MOLECULAR GEOMETRIES AND HEATS OF REACTION

被引：20

作者：

KARLSTROM, G ^{[1
]}

JONSSON, B ^{[1
]}

ROOS, BO ^{[1
]}

SIEGBAHN, PEM ^{[1
]}

机构：

[1] UNIV STOCKHOLM,INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN

来源：

THEORETICA CHIMICA ACTA | 1978年 / 48卷 / 01期

关键词：

D O I：

10.1007/BF00550241

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：59 / 74

页数：16

相关论文

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