Linear-algebraic approach to electron-molecule collisions: General formulation

Abstract

We present a linear-algebraic approach to electron-molecule collisions based on an integral equations form with either logarithmic or asymptotic boundary conditions. The introduction of exchange effects does not alter the basic form or order of the linear-algebraic equations for a local potential. In addition to the standard procedure of directly evaluating the exchange integrals by numerical quadrature, we also incorporate exchange effects through a separable-potential approximation. Efficient schemes are developed for reducing the number of points and channels that must be included. The method is applied at the static-exchange level to a number of molecular systems including ${\mathrm{H}}_2$, ${\mathrm{N}}_2$, LiH, and C${\mathrm{O}}_2$.