THE TOEPLITZ APPROACH TO TREATING 3-DIMENSIONAL REACTIVE EXCHANGE PROCESSES - QUANTUM-MECHANICAL CROSS-SECTIONS AND RATE CONSTANTS FOR THE D-2 AND H+D-2 REACTIONS(H)

Recently a new approach to treating reactive (exchange) processes was introduced, It is based on the ability of negative imaginary potential s to decouple products arrangement channels without affecting the fina l results and on the behavior of the Hamiltonian which in the asymptot ic region becomes a Toeplitz operator. This approach, developed within the discrete variable representation, is extended here to three dimen sions and applied to calculate state-selected cross sections and rate constants fur the two title reactions. (C) 1997 American Institute of Physics.