4 MATHEMATICAL DIMENSIONAL QUANTUM-MECHANICAL STUDIES OF TETRA-ATOM SYSTEMS - STATE-TO-STATE J=0 PROBABILITIES FOR THE H-2-]H2O+H REACTION(OH)

This paper presents reactive state-to-state J=0 probabilities for the title system as obtained in a four-mathematical-dimensional quantum me chanical treatment. The present treatment differs from our previous on e by the fact that in addition to the three Jacobi radial coordinates also the angular coordinate related to the H-2 axis is treated as coor dinates. As a result only the Jacobi angle related to the OH axis is t reated as a parameter and the final probabilities follow from an integ ration over this angle (the out-of-plane angle, beta, is eliminated by using a beta-averaged potential). The calculations yielded final rota tional and vibrational distributions that were analyzed and discussed with respect to more accurate (i.e., five-and six-mathematical-dimensi onal) results. (C) 1997 American Institute of Physics.