Hermits correction method in hyperspherical coordinates: Application to chemical reactions

The rotational product state distribution for the D + H-2(v = 1, j = 1) --> HD(v' = 1, j') + H reaction, has been calculated using the Hermite correction method in hyperspherical coordinates. We have also considered the geometric phase effect in our calculations either by introducing a vector potential in the system Hamiltonian or by multiplying the wavefunction by a phase factor. In the present application, we have investigated the performance of the simplest approach where only one time-dependent Gauss-Hermite basis function in the hyperradius is included. (C) 1999 Elsevier Science B.V. All rights reserved.