Overcoming the zero-point dilemma in quasiclassical trajectories: (He,H+2) as a test case

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

Full text not available from this repository.

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

Repository Staff Only: item control page