Semiclassical reactive scattering: the Hermite correction method in hyperspherical coordinates Original Research Article

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) 4286] to treat three center reactions using hyperspherical coordinates. With this approach the probabilities for the D + H2 (v=0,j=0) → HD (v′,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.