Time-dependent quantum dynamics study of the Cl+H2 reaction

Ben Hui Yang, Hong Tao Gao, Ke Li Han, John Zhang

Research output: Contribution to journalArticle

Abstract

Quantum dynamics studies for the Cl+H2 reaction system were carried out using a time-dependent wave packet approach. Initial state-selected total reaction probabilities for total angular momentum J were computed on the G3 and BW2 potential surfaces. A comparison of the computational results with the experimental ones showed good agreement.

Original languageEnglish (US)
Pages (from-to)1434-1440
Number of pages7
JournalJournal of Chemical Physics
Volume113
Issue number4
DOIs
StatePublished - Jul 2000

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Wave packets
Angular momentum
wave packets
angular momentum

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Time-dependent quantum dynamics study of the Cl+H2 reaction. / Yang, Ben Hui; Gao, Hong Tao; Han, Ke Li; Zhang, John.

In: Journal of Chemical Physics, Vol. 113, No. 4, 07.2000, p. 1434-1440.

Research output: Contribution to journalArticle

Yang, Ben Hui ; Gao, Hong Tao ; Han, Ke Li ; Zhang, John. / Time-dependent quantum dynamics study of the Cl+H2 reaction. In: Journal of Chemical Physics. 2000 ; Vol. 113, No. 4. pp. 1434-1440.
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