A new close-coupling scheme for rhe numerical calculation of quantum-mechanical probabilities for collision-induced dissociation of a diatomic molecule by an atom is presented. Fully converged preliminary results for a collinear model are given for the first time.
Quantum mechanical partitioning of kinetic energy in collision-induced dissociation
β Scribed by Jack A. Kaye; Aron Kuppermann
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 571 KB
- Volume
- 115
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
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 proce
An approximate method of Sakimoto and Onda for deriving the Smatrix elements for dissociative collisions in collinear atom-diatom reactive systems, which provided accurate total dissociation probabilities, has been tested further. To do this, kinetic energy distributions of atomic products have been