An <i>R</i> matrix approach to the solution of coupled equations for atom–molecule reactive scattering

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  • John C. Light
    The James Franck Institute and Department of Chemistry, The University of Chicago, Chicago, Illinois 60637
  • Robert B. Walker
    The James Franck Institute and Department of Chemistry, The University of Chicago, Chicago, Illinois 60637

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<jats:p>We describe in detail a new method for solving the coupled linear differential equations which appear in the theoretical statement of many types of scattering phenomena. Combining the speed advantage of propagation methods with the inherent stability of R-matrix methods, this method is fast and is unaffected by exponential growth of closed channels. We describe the propagation of the R-matrix in terms of a collinear reactive scattering problem, and provide numerical results for several systems, clearly demonstrating the speed, stability, and accuracy of this method.</jats:p>

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