Correlated electronic structure nonlinear response methods for structure denvironments

被引：12

作者：

Mikkelsen, Kurt V. ^{[1
]}

机构：

[1] Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark

来源：

ANNUAL REVIEW OF PHYSICAL CHEMISTRY | 2006年 / 57卷

关键词：

heterogeneous dielectric media; quantum mechanical-classical mechanical; multiconfigurational self-consistent field;

D O I：

10.1146/annurev.physchem.57.032905.104740

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：

This contribution concerns a brief outline Of Structural environment models where correlated electronic structure response methods are utilized for the determination of nonlinear optical properties Of Molecules. The presentation provides theory and applications of a heterogeneous dielectric media model and a quantum mechanical-classical mechanical model at the level of correlated electronic structure response methods. The correlated electronic Structure response methods include the multiconfigurational self-consistent field method.

引用

页码：365 / 402

页数：38

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