QUANTUM DYNAMICAL RATE-CONSTANT FOR THE H-3 REACTION USING A 6-DIMENSIONAL DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE(O)

We present a quantum mechanical, three-dimensional, infinite-orden-sud den-approximation study of the H + O-3 atmospheric reaction using a re cently reported double many-body expansion potential energy surface fo r ground-state HO3. The results are compared with existing experimenta l data and previously reported quasiclassical trajectory calculations which employed the same interaction potential. Agreement with the reco mmended experimental data is moderate, but encouraging when compared w ith the data of Clyne and Monkhouse, which extends over the range of t emperatures 300 less than or equal to T/K less than or equal to 650, a nd with the recent measurement of Greenblatt and Wiesenfeld for T = 30 0 K. In comparison with the classical trajectory results, the agreemen t is also moderate, the differences being attributed to both methodolo gical approximations in the quantum formalism and the problem of zero- point energy leakage in classical dynamics.