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Combining fixed- and moving-grid methods to study direct dissociation processes involving nonadiabatic transitions.

Authors :
Gindensperger, Etienne
Meier, Christoph
Beswick, J. Alberto
Parlant, Gérard
Source :
Journal of Chemical Physics. 12/1/2005, Vol. 123 Issue 21, p214107. 7p. 2 Charts, 8 Graphs.
Publication Year :
2005

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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
123
Issue :
21
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
19214881
Full Text :
https://doi.org/10.1063/1.2114807