(1) Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, 700032 Calcutta, India;(2) Chemistry Department, Garbeta College, 721101 Midnapore, India
Abstract:
An MCSCF model including the effects of solvent polarization is developed. The model is applied within the limitations of
INDO approximations to look into the dominant effects of solvent polarization on the electronic structure in the excited states
of a model system (e.g.nπ* states of H2CO). Important features of macroscopic solvation-induced reorganization of electron density and some consequence thereof are
noted.