QUANTUM-MECHANICAL CLOSE-COUPLING CALCULATIONS OF COLLISION-INDUCED DISSOCIATION IN HE-2 - A DISCRETIZED CONTINUUM MODEL(H)

Citation
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
Citations number
27
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
216
Issue
3-6
Year of publication
1993
Pages
613 - 618
Database
ISI
SICI code
0009-2614(1993)216:3-6<613:QCCOCD>2.0.ZU;2-G
Abstract
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.