New developments in the ab initio treatment of low energy electron collisions with molecules

Abstract

Although there has been substantial progress in the ab initio treatment of low energy electron scattering from small diatomic and polyatomic molecules in the last few years a number of problems still remain. Most current research has focused on the calculation of fixed nuclei scattering amplitudes in the static–exchange (SE) approximation. A few calculations have gone beyond this approximation to include electron correlation and/or vibrational and rotational effects, the latter often within the framework of model or parameterized potentials.In this article we review a number of developments which have occurred since the last electron molecule satellite meeting at Daresbury Laboratory in July 1987. Our primary objective shall be to point out the strengths and weaknesses of current computational capabilities and to describe a new approach to electron polyatomic collisions using the complex Kohn method.