Time-dependent quantum wave packet calculation for nonadiabatic F(2P3/2, 2P1/2) + H2 reaction

Yan Zhang, Ting Xian Xie, Ke Li Han, John Zhang

Research output: Contribution to journalArticle

Abstract

A time-dependent quantum dynamics calculation including the electronic angular momenta and spin-orbit coupling for the reaction of F2P3/2,2P1/2 with H2 (v=j=0) on the ASW PES is presented. The Coriolis terms are not included. The integral cross sections are determined by summing the corresponding reaction probabilities over all contributing partial waves.

Original languageEnglish (US)
Pages (from-to)12921-12925
Number of pages5
JournalJournal of Chemical Physics
Volume119
Issue number24
DOIs
StatePublished - Dec 22 2003

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Wave packets
Angular momentum
wave packets
Orbits
angular momentum
orbits
cross sections
electronics

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Time-dependent quantum wave packet calculation for nonadiabatic F(2P3/2, 2P1/2) + H2 reaction. / Zhang, Yan; Xie, Ting Xian; Han, Ke Li; Zhang, John.

In: Journal of Chemical Physics, Vol. 119, No. 24, 22.12.2003, p. 12921-12925.

Research output: Contribution to journalArticle

Zhang, Yan ; Xie, Ting Xian ; Han, Ke Li ; Zhang, John. / Time-dependent quantum wave packet calculation for nonadiabatic F(2P3/2, 2P1/2) + H2 reaction. In: Journal of Chemical Physics. 2003 ; Vol. 119, No. 24. pp. 12921-12925.
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