Application of a dynamical S matrix method to the three-dimensional H+H2 exchange reaction
โ Scribed by Clary, D. C.; Nesbet, R. K.
- Book ID
- 120163755
- Publisher
- American Institute of Physics
- Year
- 1979
- Tongue
- English
- Weight
- 1014 KB
- Volume
- 71
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.438475
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๐ SIMILAR VOLUMES
It is shown that individual (state-to-state) S-matrix elements can be generated from the 1,l element of the inverse of a small tridiagonal matrix. The tridiagonal matrix is produced via the Lanczos algorithm from discretized integral equations for the amplitude density. The convergence of 1 S,., I\*
A time-dependent quantum dynamics calculation is reported for the O(nD)+ H 2 reaction in three dimensions. Total (final state summed) reaction probabilities, cross sections and rate constants for the title reaction are presented in this study using the potential energy surface of Schinke and Lester
Quasi-classical dynamic threshold energies have been determined for two important reactive transitions in the F + H2 &action by performins estensive three-dimensional trajectory calculations for the corresponding reverse reactions. It is 'found that the energetic and dlynamic thresholds for the reac