Kumar, Sanjay ; Sathyamurthy, N. ; Ramaswamy, Ramakrishna (1995) Overcoming the zero-point dilemma in quasiclassical trajectories: (He,H+2) as a test case Journal of Chemical Physics, 103 (14). pp. 6021-6028. ISSN 0021-9606
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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v103/i14/p602...
Related URL: http://dx.doi.org/10.1063/1.470430
Abstract
We present a new technique for circumventing the problem of the zero-point leak in classical trajectories by extending the action-billiard approach of de Aguiar and Ozorio de Almeida [Nonlinearity 5, 523 (1992)]. In addition to demonstrating its utility in a model problem, we examine the application of various methods of overcoming the zero-point leak in the case of collinear He+H+2 collisions. We also show that not neglecting leaky trajectories gives, on an average, good agreement with quantal results for collinear as well as 3-dimensional collisions.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| Keywords: | Quantum Chemistry; Helium; Hydrogen Ions; Intermolecular Forces; Ion-atom Collisions; Trajectories; Vibrational States |
| ID Code: | 43917 |
| Deposited On: | 17 Jun 2011 13:06 |
| Last Modified: | 05 Jul 2012 09:39 |
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