REACTANT-PRODUCT DECOUPLING APPROACH TO STATE-RESOLVED REACTIVE SCATTERING - TIME-INDEPENDENT WAVEPACKET FORMULATION

Recently a formalism has been derived that rigorously partitions the t ime-dependent wavepacket for a reactive scattering system into mutuall y disjoint pieces satisfying uncoupled equations. Equations are set up for the time-evolution of the various arrangement pieces of the wavep acket by using absorbing potentials to decouple the initial arrangemen t dynamics from the other arrangements, and emitting potentials to pro vide sources for the scattering in each product arrangement. Here, we present the time-independent wavepacket equations that result from thi s reactant-product decoupling and illustrate their solution with an ex ample calculation on collinear H + H-2.