title: Quantum dynamics of electronic transitions with Gauss-Hermite wave packets.
abstract: A new methodology based on the superposition of time-dependent Gauss-Hermite wave packets is developed to describe the wave function of a system in which several interacting electronic states are coupled to a bath of harmonic oscillators. The equations of motion for the wave function parameters are obtained by employing the Dirac-Frenkel time-dependent variational principle. The methodology is applied to study the quantum dynamical behaviour of model systems with two interacting electronic states characterized by a relatively large reorganization energy and a range of energy biases. The favourable scaling properties make it a promising tool for the study of the dynamics of chemico-physical processes in molecular systems.
authors.affiliation: Department of Agricultural, Forestry and Food Science, Università di Torino, I-10095 Grugliasco, TO, Italy.
authors.forename: Raffaele
authors.initials: R
authors.lastname: Borrelli
authors.affiliation: Department of Chemistry and Biology, Università di Salerno, I-84081 Fisciano, SA, Italy.
authors.forename: Andrea
authors.initials: A
authors.lastname: Peluso