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

Yan Zhang, Ting Xian Xie, Ke Li Han, John Z.H. 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

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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