title: Combining fixed- and moving-grid methods to study direct dissociation processes involving nonadiabatic transitions.
abstract: We present a novel quantum-dynamics approach suitable for computing direct dissociation processes, including electronic transitions. This approach combines quantum trajectories in the Lagrangian reference frame with standard fixed-grid wave packets in order to overcome the limitations and difficulties of both techniques. As a model application, we consider the ultrafast photodissociation of H2 excited by a femtosecond extreme UV laser pulse.
authors.affiliation: Laboratoire Collisions Agrégats Réactivité, Institut de Recherche sur les Systémes Atomiques et Moléculaires Complexes, Centre National de la Recherche Scientifique -Université Paul Sabatier, Toulouse, France. etienne@tc.pci.uni-heidelberg.de
authors.forename: Etienne
authors.initials: E
authors.lastname: Gindensperger
authors.forename: Christoph
authors.initials: C
authors.lastname: Meier
authors.forename: J Alberto
authors.initials: JA
authors.lastname: Beswick
authors.forename: Gérard
authors.initials: G
authors.lastname: Parlant