Cost effective modeling of spin-coupled molecules: A 2nd order perturbative treatment of orbital relaxation in complete active space spin-flip CI

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|

作者：

Mayhall, Nicholas J. ^{[1
]}

Head-Gordon, Martin P. ^{[1
]}

机构：

[1] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2013年 / 246卷

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中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

129-COMP

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页数：1

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