Abstract
Two methods of obtaining unimodular sector transformation matrices required in quantum scattering calculations employing locally adiabatic basis sets are discussed, one being particularly useful for three-dimensional reactive scattering. These are shown to lead to improved unitarity and detailed balance in a computed S-matrix. New results arc presented for the H + D2, and F + H2 reactions, including total cross sections obtained within a J2-conserving approximation. In particular, evidence is presented which indicates that the strong n = 2 vibrational resonance appearing in collinear studies of the F + H2 reaction is drastically affected by rotational broadening, indicating that collinear studies of exoergic reactions may be of limited practical utility in predicting resonance widths.
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