REACTANT-PRODUCT DECOUPLING APPROACH TO HALF-SCATTERING PROBLEMS - PHOTODISSOCIATION OF H2O IN 3 DIMENSIONS

In this paper, we present the RPD (reactant-product decoupling) approa ch to the calculation of final-state distribution in photodissociation of H2O in three-dimensional space. Although the RPD approach was rece ntly developed for bimolecular state-to-state reactive scattering calc ulations, its application to photodissociation dynamics is very attrac tive. Specifically in photodissociation, the interaction (reactant) co mponent wavefunction psi(r) (which in the present case of photodissoci ation is replaced by the interaction component psi(int)) is nonzero on ly in the strong interaction region, which greatly simplifies the nume rical calculation for psi(int) in comparison to that for psi(r) in a f ull bimolecular reactive scattering calculation, In the following repo rt, the time-dependent implementation of the RPD approach to the photo dissociation of H2O in three dimensions is given and the calculated ro vibrational state distributions of the OH fragment are presented. (C) 1997 American Institute of Physics.