Quantum mechanical close coupling calculations of collision-induced dissociation in He+H2. A discretized continuum model

✍ Scribed by K. Nobusada; K. Sakimoto; K. Onda

• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 451 KB
• Volume: 216
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(93)90151-p

✦ Synopsis

A standard close coupling method is applied to collision-induced dissociation in a non-reactive He+H, system. The dissociative continuum is approximately described with a set of discrete states which are obtained by confining the internuclear motion of Hz in a box. The scattering is assumed to proceed in a T-shape configuration but under a realistic potential energy surface. The convergence of the resulting probability is examined with respect to the number of coupled channels and the size of the box for the discretization. Well-converged dissociation probabilities are obtained and show strong dependence on the initial vibrational state.