F-D-2 STATE-RESOLVED REACTIVE SCATTERING AT 180 AND 240 MEV COLLISIONENERGIES .2. QUASI-CLASSICAL CROSS-SECTIONS - A COMPARISON WITH THE EXPERIMENTAL RESULTS

Quasi-classical trajectory calculations (QCT) have been carried out fo r the F+D-2 reaction at the collision energies and initial rotational states necessary to simulate the molecular beam results presented in t he preceding paper of this issue by Faubel et al. Although the general trends are well accounted for by the QCT calculations, there are sign ificant differences between experiment and theoretical results. The vi brational resolved differential cross section are in an overall good a greement; however, the QCT calculations clearly underestimate both bac kward and forward scattering: The comparison between the product state distributions indicates that the QCT ones are somewhat broader than t he experimental ones for most of the vibrational states. The limitatio ns of the theoretical results become more clear when the laboratory fr ame (LAB) angular distributions (AD) and time-of-flight (TOF) spectra are simulated using the calculated DCS resolved into the final rovibra tional states, v(f), j(f). The theoretical findings and, especially, t he roles of translational energy and initial rotational momentum on th e dynamics of this reaction are discussed in some detail.