Theoretical studies of fine-structure effects and long-range forces: approximating the reactive surface of O(3P)+OH(2Π)

Abstract

We examine the validity of classical approximations to the long-range potential-energy surface for the reaction O(3P)+OH(2Π). Several methods of approximating the lowest (reactive) surface are presented. Classical analogs are developed for the quantum-mechanical dipole—quadrupole and quadrupole—quadrupole interaction. An analytical fit to the quantum-mechanical potential-energy surface is provided. Suggestions and guidelines are given for extending these methods to other collision systems.