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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section06


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).


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