title: Theoretical modeling of vibroelectronic quantum states in complex molecular systems: solvated carbon monoxide, a test case.
abstract: In this paper we extend the perturbed matrix method by explicitly including the nuclear degrees of freedom, in order to treat quantum vibrational states in a perturbed molecule. In a previous paper we showed how to include, in a simple way, nuclear degrees of freedom for the calculation of molecular polarizability. In the present work we extend and generalize this approach to model vibroelectronic transitions, requiring a more sophisticated treatment.
authors.affiliation: Dipartimento di Scienze e Tecnologie Chimiche, Universita di Roma Tor Vergata, via della Ricerca Scientifica 1, 00133 Roma, Italy. andrea.amadei@uniroma2.it
authors.forename: Andrea
authors.initials: A
authors.lastname: Amadei
authors.forename: Fabrizio
authors.initials: F
authors.lastname: Marinelli
authors.forename: Marco
authors.initials: M
authors.lastname: D'Abramo
authors.forename: Maira
authors.initials: M
authors.lastname: D'Alessandro
authors.forename: Massimiliano
authors.initials: M
authors.lastname: Anselmi
authors.forename: Alfredo
authors.initials: A
authors.lastname: Di Nola
authors.forename: Massimiliano
authors.initials: M
authors.lastname: Aschi