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.
Volume 135, 2023
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