STATE-SPECIFIC REACTION PROBABILITIES FROM A DVR-ABC GREEN-FUNCTION

Seideman and Miller have recently introduced a direct, efficient method for calculating cumulative reaction probabilities by using a discrete variable representation to represent the Green function and absorbing boundary conditions to enforce the outgoing wave boundary conditions. It is shown that this method for representing the Green function can also be used to calculate state-specific reaction probabilities. Application to the collinear reaction H + H-2-->H-2 + H demonstrates that the method is an efficient way to calculate state-to-state and partially state-resolved reaction probabilities. In addition, distorted waves are useful in reducing the size of the DVR basis.