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Wave packet study of the UV photodissociation ...
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Document type :
Article dans une revue scientifique
DOI :
10.1063/1.1891725
Title :
Wave packet study of the UV photodissociation of the Ar<sub>2</sub>HBr complex
Author(s) :
Pouilly, Brigitte [Auteur] refId
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Monnerville, Maurice [Auteur] refId
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Gatti, Fabien [Auteur]
Laboratoire de structure et de dynamique des systèmes moléculaires et solides [LSDSMS]
Meyer, Hans-Dieter [Auteur]
Journal title :
Journal of Chemical Physics
Pages :
184313
Publisher :
American Institute of Physics
Publication date :
2005-05-08
ISSN :
0021-9606
HAL domain(s) :
Physique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]
English abstract : [en]
The photodissociation dynamics of the Ar<sub>2</sub>HBr van der Waals molecule is studied using the multiconfiguration time-dependent Hartree method. Standard Jacobian coordinates are used to describe the molecule. Two ...
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The photodissociation dynamics of the Ar<sub>2</sub>HBr van der Waals molecule is studied using the multiconfiguration time-dependent Hartree method. Standard Jacobian coordinates are used to describe the molecule. Two four-dimensional calculations are carried out where the rotation of the Ar<sub>2</sub> molecule and, in addition, either the vibration of Ar<sub>2</sub>-Br or that of Ar<sub>2</sub> are frozen. The time-evolution of the probability density in the different modes and the calculation of the dissociative flux show that the dissociating hydrogen atom preferentially moves out of the plane defined by Ar<sub>2</sub> and Br. A comprehensive study of the cage effect in the process is presented.Show less >
Language :
Anglais
Peer reviewed article :
Oui
Audience :
Internationale
Popular science :
Non
Collections :
  • Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM) - UMR 8523
Source :
Harvested from HAL
Université de Lille

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