OVERCOMING THE ZERO-POINT DILEMMA IN QUASI-CLASSICAL TRAJECTORIES - (HE,H-2(-CASE()) AS A TEST)

Citation
S. Kumar et al., OVERCOMING THE ZERO-POINT DILEMMA IN QUASI-CLASSICAL TRAJECTORIES - (HE,H-2(-CASE()) AS A TEST), The Journal of chemical physics, 103(14), 1995, pp. 6021-6028
Citations number
48
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
103
Issue
14
Year of publication
1995
Pages
6021 - 6028
Database
ISI
SICI code
0021-9606(1995)103:14<6021:OTZDIQ>2.0.ZU;2-G
Abstract
We present a new technique for circumventing the problem of the zero-p oint leak in classical trajectories by extending the action-billiard a pproach of de Aguiar and Ozorio de Almeida [Nonlinearity 5, 523 (1992) ]. In addition to demonstrating its utility in a model problem, we exa mine the application of various methods of overcoming the zero-point l eak in the case of collinear He+H-2(+) collisions. We also show that n ot neglecting leaky trajectories gives, on an average, good agreement with quantal results for collinear as well as 3-dimensional collisions . (C) 1995 American Institute of Physics.