Application of the sixth-order symplectic integration to the chemical stereodynamics for the reactions Li + H(D)F (v = 0, j = 0) → LiF + H(D)

Studies on the dynamical stereochemistry of the Li + HF reaction and its isotopic variants have been performed using quasi-classical trajectory (QCT) method with the sixth-order symplectic integration on the AP2-PES which is produced by Aguado et al. [A. Aguado, M. Paniagua, M. Lara, O. Roncero, J. Chem. Phys. 107 (1997) 10085]. The polarization-dependent differential cross-sections (PDDCSs) have been calculated and compared. In addition, comparisons of the distributions P(θr), P(ϕr) and of the average rotational alignment factor 〈P2(cos θr)〉 are given for the isotopic variants.