K. Nobusada et al., QUANTUM-MECHANICAL CLOSE-COUPLING CALCULATIONS OF COLLISION-INDUCED DISSOCIATION IN HE-2 - A DISCRETIZED CONTINUUM MODEL(H), Chemical physics letters, 216(3-6), 1993, pp. 613-618
A standard close coupling method is applied to collision-induced disso
ciation in a non-reactive He+H-2 system. The dissociative continuum is
approximately described with a set of discrete states which are obtai
ned by confining the internuclear motion of H-2 in a box. The scatteri
ng is assumed to proceed in a T-shape configuration but under a realis
tic potential energy surface. The convergence of the resulting probabi
lity is examined with respect to the number of coupled channels and th
e size of the box for the discretization. Well-converged dissociation
probabilities are obtained and show strong dependence on the initial v
ibrational state.