title: State-to-State Dynamics of the Ne + HeH(+) (v = 0, j = 0) → NeH(+)(v', j') + He Reaction.
abstract: The dynamics of the Ne + HeH(+)(v = 0, j = 0) → NeH(+)(v', j') + He reaction was analyzed in detail at the state-to-state level. A time-independent quantum mechanical (TIQM) method was applied to calculate rovibrational distributions and differential cross sections (DCSs), in comparison with quasi-classical trajectory and statistical quantum predictions. Possible changes in the dynamical mechanisms that define the process were also investigated as a function of the collision energy. At the lowest energy regime, the TIQM results produce a noticeably different cross section in comparison with previously reported time-dependent wave packet results. Although the statistical methods reproduce some dynamical features, especially as the energy increases, the marked preference for the forward scattering direction on the DCSs suggests that the reaction mainly follows a direct mechanism.
authors.affiliation: Department of Chemistry, Indian Institute of Technology , Guwahati 781039, India.
authors.forename: Debasish
authors.initials: D
authors.lastname: Koner
authors.affiliation: Instituto de Física Fundamental, IFF-CSIC , Serrano 123, Madrid 28006, Spain.
authors.forename: Lizandra
authors.initials: L
authors.lastname: Barrios
authors.affiliation: Instituto de Física Fundamental, IFF-CSIC , Serrano 123, Madrid 28006, Spain.
authors.forename: Tomás
authors.initials: T
authors.lastname: González-Lezana
authors.affiliation: Department of Chemistry, Indian Institute of Technology , Guwahati 781039, India.
authors.forename: Aditya N
authors.initials: AN
authors.lastname: Panda