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352. RXN1D: A Program to Solve the Quantum Collinear
Reactive Scattering Problem
by Robert B. Walker, Los Alamos Scientific Laboratory, Group T-12, University of California, Los Alamos, New Mexico 87545 This is a general one-dimensional single surface A + BC quantum reactive scattering program, written entirely in FORTRAN. This version is for the CDC 6600 computer system and may be easily modified for the IBM 370 series computers. The R-matrix propagation method is used to solve the close-coupling equations for collinear A + BC scattering in natural collision coordinates. The user supplies only the input data and the potential energy surface function "POTNTL". FORTRAN Lines of Code: 3538 Recommended Citation: R. B. Walker, QCPE 11, 352 (1978). |