Eur. Phys. J. D (2012) 66: 58
https://doi.org/10.1140/epjd/e2011-20653-6

Regular Article

UKRmol: a low-energy electron- and positron-molecule scattering suite

¹ Cambridge University Centre for Computational Chemistry, University Chemical Laboratory, Lensfield Road, CB2 1 EW Cambridge, UK
² Department of Physics and Astronomy, University College London, WC1E 6BT Gower St., London, UK
³ Department of Physical Sciences, The Open University, Walton Hall, MK7 6 AA Milton Keynes, UK
⁴ Computational Science and Engineering Department, STFC Daresbury Laboratory, Daresbury, WA4 4 AD Warrington, UK
⁵ Max-Born-Institute, Division B, Max-Born-Str. 2A, 12489 Berlin, Germany

^a e-mail: J.Gorfinkiel@open.ac.uk

Received: 9 November 2011
Received in final form: 14 December 2011
Published online: 1 March 2012

Abstract

We describe the UK computational implementation of the R-matrix method for the treatment of electron and positron scattering from molecules. Recent developments in the UKRmol suite are detailed together with the collision processes it is enabling us to treat.