S. Adhikari et Gd. Billing, Hermits correction method in hyperspherical coordinates: Application to chemical reactions, CHEM P LETT, 305(1-2), 1999, pp. 109-116
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 correct
ion method in hyperspherical coordinates. We have also considered the geome
tric phase effect in our calculations either by introducing a vector potent
ial in the system Hamiltonian or by multiplying the wavefunction by a phase
factor. In the present application, we have investigated the performance o
f the simplest approach where only one time-dependent Gauss-Hermite basis f
unction in the hyperradius is included. (C) 1999 Elsevier Science B.V. All
rights reserved.