A semiclassical, nonperturbative approach to the description of molecular collisions

摘要

Using the effective potential formulated by Rabitz lsqb;J. Chem. Phys. 57, 1718 (1972)rsqb;, rotational energy transition probabilities for OCS molecules colliding with other OCS molecules are calculated by solving coupled Schrouml;dinger equations under the classical straight line path approximation. These results are compared with similar transition probabilities calculated from secondminus;order perturbation theory. The results are quite different for strong collisions. For weak collisions, the discrepancies are less for low values ofJ. On the basis of these results, qualitative explanations of rotational energy transfer for weak and strong collisions are offered.