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

  • J. M. Carr
  • P. G. Galiatsatos
  • J. D. GorfinkielEmail author
  • A. G. Harvey
  • M. A. Lysaght
  • D. Madden
  • Z. Mašín
  • M. Plummer
  • J. Tennyson
  • H. N. Varambhia
Regular Article
Part of the following topical collections:
  1. Topical issue: Electron/Positron Collision

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.

Keywords

Topical issue: Electron/Positron Collision. Guest editors: Michael Brunger, Anne Lafosse, Gaetana Laricchia, Paolo Limao-Vieira and Nigel Mason 

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Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2012

Authors and Affiliations

  • J. M. Carr
    • 1
  • P. G. Galiatsatos
    • 2
  • J. D. Gorfinkiel
    • 3
    Email author
  • A. G. Harvey
    • 5
  • M. A. Lysaght
    • 3
  • D. Madden
    • 2
  • Z. Mašín
    • 3
  • M. Plummer
    • 4
  • J. Tennyson
    • 2
  • H. N. Varambhia
    • 2
  1. 1.Cambridge University Centre for Computational Chemistry, University Chemical LaboratoryCambridgeUK
  2. 2.Department of Physics and AstronomyUniversity College LondonLondonUK
  3. 3.Department of Physical SciencesThe Open UniversityMilton KeynesUK
  4. 4.Computational Science and Engineering Department, STFC Daresbury LaboratoryWarringtonUK
  5. 5.Max-Born-Institute, Division BBerlinGermany

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