Nonadiabatic Nuclear Dynamics in the Ammonia Cation Studied by the Branching Classical Trajectory Method

Nonadiabatic Nuclear Dynamics in the Ammonia Cation Studied by the Branching Classical Trajectory Method

The photoinduced nonadiabatic nuclear dynamics of the ammonia cation is studied by the branching classical trajectory approach. The time-dependent populations of different electronic states of the ammonia cation are calculated and are in good agreement with the results of full quantum calculations.

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Veröffentlicht in:Journal of physics. Conference series 2012-01, Vol.388 (10), p.102005-1
Hauptverfasser: Belyaev, A K, Lebedev, O V, Domcke, W
Format: Artikel
Sprache:eng
Schlagworte:
Accuracy
Ammonia
Atoms
Cations
Classical trajectories
Dynamic tests
Dynamics
Electron states
Electronic states
Mathematical analysis
Molecules
Non-adiabatic
Nuclear dynamics
Photo-induced
Physics
Populations
Positive ions
Quantum calculation
Time-dependent
Trajectories
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Beschreibung
Zusammenfassung:The photoinduced nonadiabatic nuclear dynamics of the ammonia cation is studied by the branching classical trajectory approach. The time-dependent populations of different electronic states of the ammonia cation are calculated and are in good agreement with the results of full quantum calculations.
ISSN:1742-6588
1742-6596
1742-6596
DOI:10.1088/1742-6596/388/10/102005