Time-dependent wave packet calculation for state-to-state reaction of Cl+H2 using the reactant-product decoupling approach

Yici Zhang, Jingfeng Zhang, Haiyan Zhang, Qinggang Zhang, John Zhang

Research output: Contribution to journalArticle

Abstract

The time-dependent wave packet calculations were studied for state-to-state reaction of Cl+H2 using reaction-product decoupling approach (RPD) method. The calculations were carried out to separate the full wave function into reactant and product components. The reaction probabilities were also presented from the ground state of H2 to specific rovibrational states of ClH. It was demonstrated that the accurate state-to-state reactive scattering results could be obtained from a time-dependent wave packet calculation using the RPD approach.

Original languageEnglish (US)
Pages (from-to)8455-8459
Number of pages5
JournalJournal of Chemical Physics
Volume115
Issue number18
DOIs
StatePublished - Nov 8 2001

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Wave packets
decoupling
wave packets
Reaction products
reaction products
products
Wave functions
Ground state
wave functions
Scattering
ground state
scattering

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Time-dependent wave packet calculation for state-to-state reaction of Cl+H2 using the reactant-product decoupling approach. / Zhang, Yici; Zhang, Jingfeng; Zhang, Haiyan; Zhang, Qinggang; Zhang, John.

In: Journal of Chemical Physics, Vol. 115, No. 18, 08.11.2001, p. 8455-8459.

Research output: Contribution to journalArticle

Zhang, Yici ; Zhang, Jingfeng ; Zhang, Haiyan ; Zhang, Qinggang ; Zhang, John. / Time-dependent wave packet calculation for state-to-state reaction of Cl+H2 using the reactant-product decoupling approach. In: Journal of Chemical Physics. 2001 ; Vol. 115, No. 18. pp. 8455-8459.
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