Margolies, Seth ; Garetz, Bruce A. ; Sathyamurthy, N. (1983) On the origin of the dynamical differences between the Tang and Dalgarno-Henry-Roberts potentials for rigid rotor H2-H collisions Journal of Chemical Physics, 79 (6). pp. 2736-2741. ISSN 0021-9606
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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v79/i6/p2736_...
Related URL: http://dx.doi.org/10.1063/1.446177
Abstract
We compare our quasiclassical trajectory results for the J=0→2 rotational excitation in rigid rotor H2-H collisions with the close-coupling results of Choi and Tang on two different potentials. We trace the dynamical differences between the two potentials to the differences in the ellipticity of the repulsive potential-energy contours. We also discuss the application of our results to rotational excitation on the most accurate Siegbahn-Liu-Truhlar-Horowitz surface for the collision.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| Keywords: | Hydrogen; Atom-molecule Collisions; Excitation; Rotational States; Potentials; Energy Transfer |
| ID Code: | 43929 |
| Deposited On: | 17 Jun 2011 13:30 |
| Last Modified: | 17 Jun 2011 13:30 |
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