The investigation of spin-orbit effect for the F( 2P) + HD reaction

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

Research output: Contribution to journalArticle

Abstract

The nonadiabatic reaction of F( 2P 3/2, 2P 1/2) with H 2 and D 29,30 2 on the Alexander-Stark-Werner potential energy surface, was investigated using the time-dependent quantum wave packet method. The initial state-resolved reactive integral cross sections were determined by summing the reaction probabilities over all the partial waves. The branching ratios and the energy-dependent reactivity of the excited spin-orbit state for the two possible products, were calculated using the cross sections. The results show that at high collision energy, the reactivity of the excited spin-orbit state for the two possible products is no more than 43% of reativity of the ground spin-orbit state.

Original languageEnglish (US)
Pages (from-to)6000-6004
Number of pages5
JournalJournal of Chemical Physics
Volume120
Issue number13
DOIs
StatePublished - Apr 1 2004

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Orbits
orbits
reactivity
Wave packets
Potential energy surfaces
cross sections
products
wave packets
potential energy
collisions
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

The investigation of spin-orbit effect for the F( 2P) + HD reaction. / Zhang, Yan; Xie, Ting Xian; Han, Ke Li; Zhang, John.

In: Journal of Chemical Physics, Vol. 120, No. 13, 01.04.2004, p. 6000-6004.

Research output: Contribution to journalArticle

Zhang, Yan ; Xie, Ting Xian ; Han, Ke Li ; Zhang, John. / The investigation of spin-orbit effect for the F( 2P) + HD reaction. In: Journal of Chemical Physics. 2004 ; Vol. 120, No. 13. pp. 6000-6004.
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