The importance of including dynamic electron correlation in ab initio calculations

被引：231

作者：

Borden, WT ^{[1
]}

Davidson, ER ^{[1
]}

机构：

[1] INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405

来源：

ACCOUNTS OF CHEMICAL RESEARCH | 1996年 / 29卷 / 02期

关键词：

D O I：

10.1021/ar950134v

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：67 / 75

页数：9

共 60 条

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[5] THE POTENTIAL SURFACE FOR THE CYCLOBUTADIENE RADICAL CATION
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[6] POTENTIAL SURFACES FOR (NH)32+
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[7] SYNCHRONICITY IN MULTIBOND REACTIONS
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[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1988, 39 : 213 - 236
[8] QUALITATIVE METHODS FOR PREDICTING THE GROUND-STATES OF NON-KEKULE HYDROCARBONS AND THE EFFECTS OF HETEROATOM SUBSTITUTION ON THE ORDERING OF THE ELECTRONIC STATES
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[J]. MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 1993, 232 : 195 - 218
[9] EFFECTS OF ELECTRON REPULSION IN CONJUGATED HYDROCARBON DIRADICALS
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[10] BROOKS BR, 1978, J CHEM PHYS, V68, P4939

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