title: A detailed quantum mechanical and quasiclassical trajectory study on the dynamics of the H+ + H2 --> H2 + H+ exchange reaction.
abstract: The H+ + H2 exchange reaction has been studied theoretically by means of a different variety of methods as an exact time independent quantum mechanical, approximate quantum wave packet, statistical quantum, and quasiclassical trajectory approaches. Total and state-to-state reaction probabilities in terms of the collision energy for different values of the total angular momentum obtained with these methods are compared. The dynamics of the reaction is extensively studied at the collision energy of E(coll)=0.44 eV. Integral and differential cross sections and opacity functions at this collision energy have been calculated. In particular, the fairly good description of the exact quantum results provided by the statistical quantum method suggests that the dynamics of the process is governed by an insertion mechanism with the formation of a long-lived collision complex.
authors.affiliation: Instituto de Matemáticas y Física Fundamental (CSIC), Serrano 123, 28006 Madrid, Spain. tglezana@imaff.cfmac.csic.es
authors.forename: Tomás
authors.initials: T
authors.lastname: González-Lezana
authors.forename: Octavio
authors.initials: O
authors.lastname: Roncero
authors.forename: Pascal
authors.initials: P
authors.lastname: Honvault
authors.forename: Jean-Michel
authors.initials: JM
authors.lastname: Launay
authors.forename: Niyazi
authors.initials: N
authors.lastname: Bulut
authors.forename: F Javier
authors.initials: FJ
authors.lastname: Aoiz
authors.forename: Luis
authors.initials: L
authors.lastname: Bañares