The Toeplitz approach to treating three-dimensional reactive exchange processes: Quantum mechanical cross sections and rate constants for the D+H-2 and H+D-2 reactions

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