Analytical semiclassical calculation of photodissociation of the HCl molecule

This paper describes an analytical method to the solution of semiclassical first-order, time-dependent coupled equations in the case of a three states process. The method is applied to the study of the photodissociation of the HCl molecule. The results of the semiclassical instantaneous probabilitie...

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Veröffentlicht in:The Journal of chemical physics 1995-07, Vol.103 (1), p.182-193
Hauptverfasser: Duhoo, Thierry, Pouilly, Brigitte
Format: Artikel
Sprache:eng
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Zusammenfassung:This paper describes an analytical method to the solution of semiclassical first-order, time-dependent coupled equations in the case of a three states process. The method is applied to the study of the photodissociation of the HCl molecule. The results of the semiclassical instantaneous probabilities as function of the interparticle distance are compared with quantum–quantum flux redistribution calculations [M. H. Alexander, B. Pouilly, and T. Duhoo, J. Chem. Phys. 99, 1752 (1993)].
ISSN:0021-9606
1089-7690
DOI:10.1063/1.469629