Stereodynamics studies of the Sr+HF reaction using time-dependent quantum wave packet method

Bi Yu Tang, Ben Hui Yang, Li Zhang, Ke Li Han, John Zhang

Research output: Contribution to journalArticle

Abstract

A time-dependent wave packet calculation is carried out for the Sr+HF reaction in three dimensions. The effects of the reagent initial excitation on the total reaction probabilities (final states summed) as a function of collision energy are studied for the v=0, 1 and j<20 states of HF. It is found that the vibrational excitation can enhance effectively the Sr+HF reaction. A detailed study on steric effects for the reaction at zero total angular momentum is also performed. The calculated results show that the F side of the HF molecule is the most favorite side for reactive attacks and the reactivity strongly depends on the attack angle.

Original languageEnglish (US)
Pages (from-to)381-388
Number of pages8
JournalChemical Physics Letters
Volume327
Issue number5-6
StatePublished - Sep 15 2000

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Wave packets
Angular momentum
reaction time
wave packets
Molecules
attack
excitation
reagents
reactivity
angular momentum
collisions
molecules
energy

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Stereodynamics studies of the Sr+HF reaction using time-dependent quantum wave packet method. / Tang, Bi Yu; Yang, Ben Hui; Zhang, Li; Han, Ke Li; Zhang, John.

In: Chemical Physics Letters, Vol. 327, No. 5-6, 15.09.2000, p. 381-388.

Research output: Contribution to journalArticle

Tang, Bi Yu ; Yang, Ben Hui ; Zhang, Li ; Han, Ke Li ; Zhang, John. / Stereodynamics studies of the Sr+HF reaction using time-dependent quantum wave packet method. In: Chemical Physics Letters. 2000 ; Vol. 327, No. 5-6. pp. 381-388.
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