Molecular electronic structure calculations involving unbound or scattering
states occupy a small but important territory adjacent to the broader fiel
d of computational chemistry. Besides providing fundamental scientific insi
ghts, such calculations can provide essential data for technological applic
ations. provided that reliable calculations can be carried our for the rela
tively large molecules of interest. In this article, we describe one approa
ch to the electron-molecule collision problem and discuss how that approach
has been adapted ro parallel computers - from monolithic supercomputers to
workstation clusters - in order to achieve the levels of performance neces
sary to address collisions with larger polyatomic targets. (C) 2000 Elsevie
r Science B.V. All rights reserved.