SEMICLASSICAL REACTIVE SCATTERING - THE HERMITE CORRECTION METHOD IN HYPERSPHERICAL COORDINATES

We have used the classical path theory based on the Hermite correction to Gaussian wave packets by G.D. Billing [J. Chem. Phys. 107 (1997) 4 286] to treat three center reactions using hyperspherical coordinates. With this approach the probabilities for the D + H-2 (upsilon = 0, j = 0) --> HD (upsilon', j') + H, reaction have been calculated for the J = 0 case. The results are compared with those of J.Z.H. Zhang and W. H. Miller [J. Chem. Phys. 91 (1989) 1528] obtained by time-independent scattering calculations. (C) 1998 Elsevier Science B.V. All rights re served.