pi* -> n fluorescence transition in formaldehyde in aqueous solution: A combined quantum chemical statistical mechanical study
The solvent shift to the fluorescence transition pi* -> n in formaldehyde in aqueous Solution is theoretically analyzed. The solvent model has explicit representation of the solvent and uses the complete active space state interaction (CASSI) method to obtain a description of the wave function of the solute similar to what the complete active space self-consistent-field (CASSCF) method would give.
