ABSTRACT

RMPROP is a computer program written using FORTRAN 77 for solving the quantum mechanical scattering problem for single-arrangement collisions using the R matrix propagation algorithm. The program yields the scattering matrix for a particular total energy and total angular momentum. Special features of the algorithm are that it vectorizes very efficiently, closed channels are treated without numerical difficulty, the integration stepsize can be large in regions where the interaction and centrifugal potentials are slowly varying functions of the propagation coordinate, and in many cases much of the computational effort can be reused for various types of calculations. RMPROP can solve the scattering problem subject to homogeneous or nonhomogeneous boundary conditions at small values of the scattering coordinate (the scattering boundary conditions are always nonhomogeneous at large values of the scattering coordinate).

Version 2.1.2 executes in single-processor mode, except for certain matrix operations where multitasking may be invoked, and it is optimized for a vector pipeline computer. It is distributed with a test suite and this on-line manual.