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