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

doi:10.1063/1.1626537

Time-dependent quantum wave packet calculation for nonadiabatic F(²P_3/2, ²P_1/2) + H₂ reaction

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

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

A time-dependent quantum dynamics calculation including the electronic angular momenta and spin-orbit coupling for the reaction of F²P_3/2,²P_1/2 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 language	English (US)
Pages (from-to)	12921-12925
Number of pages	5
Journal	Journal of Chemical Physics
Volume	119
Issue number	24
DOIs	https://doi.org/10.1063/1.1626537
State	Published - Dec 22 2003

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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

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.",

author = "Yan Zhang and Xie, {Ting Xian} and Han, {Ke Li} and Zhang, {John Z.H.}",

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AU - Zhang, John Z.H.

PY - 2003/12/22

Y1 - 2003/12/22

N2 - 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.

AB - 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.

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Time-dependent quantum wave packet calculation for nonadiabatic F(²P_3/2, ²P_1/2) + H₂ reaction

Abstract

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