Correlated electronic structure nonlinear response methods 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.
Mikkelsen
Kurt V
KV
Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen, Denmark. kmi@theory.ki.ku.dk