Correlated electronic structure nonlinear response methods for structured environments

被引:0
|
作者
Mikkelsen, Kurt V. [1 ]
机构
[1] Univ Copenhagen, Dept Chem, HC Orsted Inst, DK-2100 Copenhagen O, Denmark
关键词
heterogeneous dielectric media; quantum mechanical-classical mechanical; correlated electronic structure response methods; multiconfigurational self-consistent field; coupled cluster;
D O I
暂无
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We consider 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 (i) the multiconfigurational self-consistent field (MCSCF) method and (ii) the coupled cluster (CC) method.
引用
收藏
页码:966 / 971
页数:6
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