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

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.

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Bibliographic Details
Published in:The European physical journal. D, Atomic, molecular, and optical physics Atomic, molecular, and optical physics, 2012-03, Vol.66 (3), Article 58
Main Authors: Carr, J. M., Galiatsatos, P. G., Gorfinkiel, J. D., Harvey, A. G., Lysaght, M. A., Madden, D., Mašín, Z., Plummer, M., Tennyson, J., Varambhia, H. N.
Format: Article
Language:English
Subjects:
Applications of Nonlinear Dynamics and Chaos Theory
Atomic
Atomic and molecular collision processes and interactions
Atomic and molecular physics
Elastic scattering of electrons by atoms and molecules
Electron scattering
Exact sciences and technology
Molecular
Optical and Plasma Physics
Physical Chemistry
Physics
Physics and Astronomy
Positron scattering
Quantum Information Technology
Quantum Physics
Regular Article
Spectroscopy/Spectrometry
Spintronics
Topical issue: Electron/Positron Collision
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Description
Summary: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.
ISSN:1434-6060
1434-6079
DOI:10.1140/epjd/e2011-20653-6