Combining fixed- and moving-grid methods to study direct dissociation processes involving nonadiabatic transitions |
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| Authors: | Gindensperger Etienne Meier Christoph Beswick J Alberto Parlant Gérard |
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| 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 |
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| 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. |
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