Propagation method for the solution of the arrangement-channel coupling equations for reactive scattering in three dimensions
作者： David W. Schwenke , Donald G. Truhlar , Donald J. Kouri
DOI: 10.1063/1.452079
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摘要: We present a new methodology for solving the three‐dimensional reactive scattering problem. It is based upon convenient choice of coordinates with arrangement channels coupled either by Fock method or wave function component form arrangement‐channel quantum mechanics. The resulting ordinary differential equations are cast in suitable use standard nonreactive codes. involves no matching solutions from different arrangements and numerical derivatives, interpolations multidimensional functions, nonlocal kernels.
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