Time-dependent wave-packet treatment of the Si4++He collision

Nathalie Vaeck, Marie-Christine Bacchus-Montabonel, Ezinvi Baloïtcha, and Michèle Desouter-Lecomte
Phys. Rev. A 63, 042704 – Published 12 March 2001
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Abstract

The collisional system Si4++He has been studied over a range of mean relative ion kinetic energy going from 102 to 102eV/amu. In the low-energy range, a time-dependent wave-packet approach is used both in the diabatic and the adiabatic representation using two different propagator techniques. The agreement between the two sets of results assess the accuracy of the present numerical approach. Above 2.5 eV/amu., a semiclassical eikonal calculation is performed, which includes the Coriolis couplings. Finally, the rate constant is calculated and compared with the other theoretical data as well as with the experimental value of [Fang and Kwong, Phys. Rev. A 59, 342 (1999)]. The present results confirm the order of magnitude of previous theoretical values.

  • Received 31 August 2000

DOI:https://doi.org/10.1103/PhysRevA.63.042704

©2001 American Physical Society

Authors & Affiliations

Nathalie Vaeck

  • Laboratoire de Chimie Physique Moléculaire, CP 160/09 Université Libre de Bruxelles, 50 Avenue F. Roosevelt, B-1050 Bruxelles, Belgium

Marie-Christine Bacchus-Montabonel

  • Laboratoire de Spectrométrie Ionique et Moléculaire, UMR 5579, CNRS et Université de Lyon I, 43, Boulevard du 11 Novembre 1918, 69622 Villeurbanne Cedex, France

Ezinvi Baloïtcha and Michèle Desouter-Lecomte*

  • Laboratoire de Chimie Physique, UMR 8000, Université de Paris Sud, 91405 Orsay Cedex, France
  • Département de Chimie, Université de Liège, Institut de Chimie B6, Sart-Tilman, B-4000, Liège 1, Belgium

  • *Author to whom correspondence should be addressed.

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Issue

Vol. 63, Iss. 4 — April 2001

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