New approach to molecular collisions: Statistical quasiclassical method

Journal Article · Mon Sep 01 04:00:00 EDT 1980 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.440419· OSTI ID:5095903

Lee, H; Scully, M O

A new approach is presented in which classical mechanics is combined with quantum statistics to describe molecular collisions. In this approach, the dynamics of collisions is described by classical trajectories as in the widely used quasiclassical method. However, initial and final internal states are represented in phase space in a quantum statistical way, using the Wigner distribution function. Results of calculations performed on a collinear He--H/sub 2/ collision indicate that this new method is more accurate than the quasiclassical method, especially when the initial vibrational energy is low. Moreover, the new method is capable of describing classically forbidden processes that cannot be accounted for by the quasiclassical method.

• Research Organization: Department of Physics and Optical Sciences Center, University of Arizona, Tucson, Arizona 85721
• OSTI ID: 5095903
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 73:5; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
COLLISIONS
ELEMENTS
HELIUM
HYDROGEN
MATHEMATICAL SPACE
MECHANICS
MOLECULE COLLISIONS
NONMETALS
PHASE SPACE
RARE GASES
SPACE
STATISTICAL MECHANICS
WIGNER DISTRIBUTION