The extraction of dynamics from the photodetachment spectrum of ClHCl- by classical mechanical methods

The main features of the photodetachment spectrum of ClHCl− are simulated using 3D classical trajectories. A classical mechanical interpretation of the quantum resonances of the ClHCl transition state region is provided. A direct correspondence between the features of the spectrum and the classical...

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Bibliographic Details
Published in:The Journal of chemical physics 1991-02, Vol.94 (4), p.2608-2613
Main Authors: OHYEON HAHN, LLORENTE, J. M. G, TAYLOR, H. S
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Exact sciences and technology
Molecular properties and interactions with photons
Photon interactions with molecules
Physics
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Summary:The main features of the photodetachment spectrum of ClHCl− are simulated using 3D classical trajectories. A classical mechanical interpretation of the quantum resonances of the ClHCl transition state region is provided. A direct correspondence between the features of the spectrum and the classical motions involved in such features is established. The demonstrated method of analysis is applicable to most complicated irregular spectra and reactions involving nuclear motions.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.459836