title: Theoretical characterization of electronic states in interacting chemical systems.
abstract: In this article we characterize, by means of the perturbed matrix method, the response of the electronic states of a chemical system to the perturbing environment. In the theory section we describe in detail the basic derivations and implications of the method, extending its theoretical framework to treat possible excitonic effects, and we show how to characterize the perturbed electronic states. Finally, by using a set of chemical systems interacting with complex atomic-molecular environments, we describe the nature and general features of the electronic state mixing and transitions as caused by atomic and molecular interactions.
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: Maira
authors.initials: M
authors.lastname: D'Alessandro
authors.forename: Marco
authors.initials: M
authors.lastname: D'Abramo
authors.forename: Massimiliano
authors.initials: M
authors.lastname: Aschi
mesh_terms: D004583:Electrons; D008722:Methods; D008956:Models, Chemical; D008958:Models, Molecular