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Reactive Quantum Scattering In Two Dimensions, Roy S. Calfas
Reactive Quantum Scattering In Two Dimensions, Roy S. Calfas
Theses and Dissertations
In an effort to develop a more efficient time dependent approach for calculating scattering matrix elements, absorbing boundary conditions are combined together with the channel packet method. As an introduction to scattering, scattering matrix elements are presented for a one-dimensional square well and a one-dimensional potential consisting of a Gaussian well with symmetric Gaussian barriers. Next, the combination of the channel packet method together with absorbing boundary conditions yields an order of magnitude savings in the time necessary to compute the correlation function for the collinear H+H