title: Excited-state polarizabilities of solvated molecules using cubic response theory and the polarizable continuum model.
abstract: The theory and an implementation of the solvent contribution to the cubic response function for the polarizable continuum model for multiconfigurational self-consistent field wave functions is presented. The excited-state polarizability of benzene, para-nitroaniline, and nitrobenzene has been obtained from the double residue of the cubic response function calculated in the presence of an acetonitrile and dioxane solvent. The calculated excited-state polarizabilities are compared to results obtained from the linear response function of the explicitly optimized excited states.
authors.affiliation: Department of Chemistry, Centre for Theoretical and Computational Chemistry, University of Tromso, N-9037 Tromso, Norway.
authors.forename: Lara
authors.initials: L
authors.lastname: Ferrighi
authors.forename: Luca
authors.initials: L
authors.lastname: Frediani
authors.forename: Kenneth
authors.initials: K
authors.lastname: Ruud