Correlated Electronic Structure Nonlinear Response Methods for Structured Environments

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.