title: Quasiclassical determination of reaction probabilities as a function of the total angular momentum.
abstract: This article presents a quasiclassical trajectory (QCT) method to determine the reaction probability as a function of the total angular momentum J for any given value of the initial rotational angular momentum j. The proposed method is based on a discrete sampling of the total and orbital angular momenta for each trajectory and on the development of equations that have a clear counterpart in the quantum-mechanical (QM) case. The reliability of the method is illustrated by comparing QCT and time-dependent wave-packet QM results for the H+D(2)(upsilon=0,j=4,10) reaction. The small discrepancies between both sets of calculations, when they exist, indicate some genuine quantum effects. In addition, a procedure to extract the reaction probabilities as a function of J when trajectories are calculated in the usual way using a continuous distribution of impact parameters is also described.
authors.affiliation: Departamento de Química Física, Facultad de Química, Universidad Complutense, 28040 Madrid, Spain. aoiz@quim.ucm.es
authors.forename: F J
authors.initials: FJ
authors.lastname: Aoiz
authors.forename: V
authors.initials: V
authors.lastname: Sáez-Rábanos
authors.forename: Bruno
authors.initials: B
authors.lastname: Martínez-Haya
authors.forename: Tomás
authors.initials: T
authors.lastname: González-Lezana