CORRELATED ELECTRONIC STRUCTURE NONLINEAR RESPONSEMETHODS FOR STRUCTURED ENVIRONMENTS

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.