ABC: a quantum reactive scattering program

This article describes a quantum mechanical reactive scattering program for atom-diatom chemical reactions that we have written during the past several years. The program uses a coupled-channel hyperspherical coordinate method to solve the Schrodinger equation for the motion of the three nuclei on a single Born-Oppenheimer potential energy surface. It has been tested for all possible deuterium-substituted isotopomers of the H + H-2, F + H-2, and Cl+ H-2 reactions, and tried and tested potential energy surfaces for these reactions are included within the program as Fortran subroutines. (C) 2000 Elsevier Science B.V. All rights reserved.