## Reaction probabilities from coupled states calculations on the Liu-Siegbahn-Truhlar-Horowitz surface for H + H, are calculated for the energy range 0.90-1.30 eV. Peaks in the ~brationaliy inelastic reaction probabilities near 1.10, 1.20 and 1.22-1.24 eV suggest that bending excited resonances l
Lifetime analysis of high-energy resonances in three-dimensional reactive scattering
โ Scribed by Paul G Hipes; Aron Kuppermann
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 698 KB
- Volume
- 133
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
Accurate quantum mechanical three-dimensional reactive scattering calculations for the J = 0 partial wave of the H + H2 system for total energies up to 1.6 eV have been performed using symmetrized hyperspherical coordinates. Six resonances were found having collision lifetimes which, interestingly, increase with the amount of stretching excitation and decrease with that of bending excitation.
* Ref.
[ 151 is a good general text on the finite element method.
๐ SIMILAR VOLUMES
The periodic orbit reduction method is used to analyse time-delay peaks in exact 3D quantal computations. Ofthe six observed peaks in the H + H2 reaction three are related to resonances, the other three to adiabatic barriers.
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