Statistical physics partitioning and classical trajectory analysis of the phase space in CO2–Ar weakly interacting pairs

This paper aims at elaborating rigorous criteria which make it possible to discriminate between true bound, quasibound, and free pair states for a system possessing a pronounced anisotropy of intermolecular interaction. The speculative statistical physics definition for various domains in the phase space of CO2–Ar pairs is verified using extensive 3D classical trajectory calculations with selected reliable potential energy surfaces. The results of numerical trajectory simulation is shown to confirm quite nicely the validity of our ad hoc statistical physics approach. q 2005 Elsevier B.V. All rights reserved