Mahapatra, S. ; Sathyamurthy, N. (1997) Resonances in He+H2+→HeH++H reaction in three-dimensions: energy resolved total reaction probabilities by the time-dependent wave packet method Journal of Chemical Physics, 107 (17). pp. 6621-6626. ISSN 0021-9606
Full text not available from this repository.
Official URL: http://jcp.aip.org/resource/1/jcpsa6/v107/i17/p662...
Related URL: http://dx.doi.org/10.1063/1.474904
Abstract
Vib-rotational state-selected and energy resolved total reaction probabilities for the title reaction in three dimensions are calculated on the McLaughlin-Thompson-Joseph-Sathyamurthy potential energy surface, by the time-dependent wave packet (WP) method for the total angular momentum J=0. The probabilities as obtained by the time-energy mapping of the reactive flux of the WP across a dividing surface in the asymptotic product channel reveal a large number of narrow resonances, in agreement with the time-independent quantum mechanical results available in the literature. While initial vibrational excitation of H2+ is shown, in general, to enhance the reaction probability considerably, in agreement with the experimental observations, rotational excitation has only a marginal influence.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| Keywords: | Hydrogen Ions; Positive Ions; Helium Neutral Atoms; Atom-ion Reactions; Reaction Kinetics; Potential Energy Surfaces |
| ID Code: | 43914 |
| Deposited On: | 17 Jun 2011 13:02 |
| Last Modified: | 17 Jun 2011 13:02 |
Repository Staff Only: item control page
