Combining fixed- and moving-grid methods to study direct dissociation processes involving nonadiabatic transitions.
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.
Gindensperger
Etienne
E
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
Meier
Christoph
C
Beswick
J Alberto
JA
Parlant
Gérard
G