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
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
收藏
页码:365 / 402
页数:38
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