Reference : Intramolecular dynamics by photoelectron spectroscopy. II. Nonadiabatic processes.
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Chemistry
http://hdl.handle.net/2268/5967
Intramolecular dynamics by photoelectron spectroscopy. II. Nonadiabatic processes.
English
Dehareng, Dominique mailto [Université de Liège - ULg > > Centre d'ingénierie des protéines >]
Leyh, Bernard mailto [Université de Liège - ULg > Département de chimie (sciences) > Laboratoire de dynamique moléculaire >]
Desouter-Lecomte, Michèle mailto [Université de Liège - ULg > Département de chimie (sciences) > Laboratoire de chimie physique théorique >]
Lorquet, Jean-Claude mailto [Université de Liège - ULg > Services généraux (Faculté des sciences) > Relations académiques et scientifiques (Sciences) >]
Delwiche, Jacques mailto [Université de Liège - ULg > Services généraux (Faculté des sciences) > Relations académiques et scientifiques (Sciences) >]
Hubin-Franskin, Marie-Jeanne mailto [Université de Liège - ULg > Département de chimie (sciences) > Chimie physique, spectrométrie de masse >]
1983
Journal of Chemical Physics
American Institute of Physics
79
8
3719-3724
Yes (verified by ORBi)
International
0021-9606
1089-7690
New York
NY
[en] nonadiabatic coupling ; electronic states interacting with a continuum ; correlation function
[fr] resonance states ; predissociation ; HBr cation
[en] The Fourier transform of an electronic spectrum leads to an autocorrelation function which provides information on the propagation of the wave packet on the potential energy surface of the electronic state reached in the transition. The formula is valid even when nonadiabatic interaction is present, i.e., when the wave packet splits at a particular surface crossing with one part branching off to another potential energy surface. An explicit expression of the correlation function is given for a model of several discrete states interacting with a continuum. Closed-form solutions are given in the case of one and two resonances. A very simple formula valid in the strong coupling limit is also derived. The method is applied to the photoelectron spectrum of state A 2Sigma+ of HBr+, which is shown to correspond to the strong couplig case.
Fonds de la Recherche Fondamentale Collective d’Initiative des Chercheurs - FRFC ; Fonds pour la formation à la Recherche dans l'Industrie et dans l'Agriculture (Communauté française de Belgique) - FRIA ; Politique Scientifique Fédérale (Belgique) = Belgian Federal Science Policy
Researchers ; Professionals ; Students
http://hdl.handle.net/2268/5967

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