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
Close-coupling calculation of quantum-mechanical probabilities for collision-induced dissociation
β Scribed by E.-W. Knapp; D.J. Diestler; Y.-W. Lin
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 395 KB
- Volume
- 49
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
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.
π SIMILAR VOLUMES
The previous quantum mechanical close-coupling study of the dissociative collisions in He + Hz (T-shape configuration) by the present authors [Chem. Phys. Letters 216 (1993) 6131 has been extended to a wide range of the total energy 4.8-7.5 eV. The dissociation process shows a clear vibrational enha
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
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