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
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.
Key words: Topical issue: Electron/Positron Collision. Guest editors: Michael Brunger, Anne Lafosse, Gaetana Laricchia, Paulo Limao-Vieira and Nigel Mason
© EDP Sciences, Società Italiana di Fisica and Springer-Verlag 2012