State-specific reaction probabilities from a DVR-ABC Green function
نویسنده
چکیده
Seideman and Miller have recently introduced a direct, &cient method for calculating cumulative reaction probabilities by using a discrete variable representation to represent the Green function and absorbing boundary conditions to enfonx 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 HC H,-+H*+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.
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تاریخ انتشار 2005