Time-dependent quantum wave packet studies of the F+HCl and F+DCl reactions

Bi Yu Tang, Ben Hui Yang, Ke Li Han, Rui Qin Zhang, John Zhang

Research output: Contribution to journalArticle

Abstract

Three-dimensional time-dependent quantum wave-pack calculations were carried out for the F+HCl and F+DCl reactions. The energy-dependence of reaction probability exhibited oscillating structure in the F+HCl reaction. The effects of initial state excitation on the total reaction probabilities as a function of collision energy were investigated. The rotational excitation led to an increase in the reaction probability at low collision energy. Thermal rate constants for the reactions are calculated.

Original languageEnglish (US)
Pages (from-to)10105-10113
Number of pages9
JournalJournal of Chemical Physics
Volume113
Issue number22
DOIs
StatePublished - Dec 8 2000

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Wave packets
wave packets
Rate constants
collisions
excitation
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Time-dependent quantum wave packet studies of the F+HCl and F+DCl reactions. / Tang, Bi Yu; Yang, Ben Hui; Han, Ke Li; Zhang, Rui Qin; Zhang, John.

In: Journal of Chemical Physics, Vol. 113, No. 22, 08.12.2000, p. 10105-10113.

Research output: Contribution to journalArticle

Tang, Bi Yu ; Yang, Ben Hui ; Han, Ke Li ; Zhang, Rui Qin ; Zhang, John. / Time-dependent quantum wave packet studies of the F+HCl and F+DCl reactions. In: Journal of Chemical Physics. 2000 ; Vol. 113, No. 22. pp. 10105-10113.
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