The linear algebraic method for the scattering of electrons from atoms and molecules: Computational techniques

Abstract

The linear algebraic method (LAM) for the scattering of electrons from atoms and molecules is described with particular emphasis on the techniques used to perform numerical calculations on real systems. We begin with a detailed discussion of scattering from a simple, one-dimensional, non-local potential, move to more complicated multichannel problems, and conclude with some examples. Throughout the discussion we stress the strong interplay between the basic theory and the numerical methods developed by the authors to treat the algebraic equations.