The UK molecular R-matrix codes

The R-matrix method has been used with great success in recent years to model low energy scattering of electrons and positrons by molecules. The codes, developed by a consortium of UK research groups as part of the Collaborative Computational Project 2 (CCP2), have now reached a high of robustness a...

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Bibliographic Details
Published in:Computer physics communications 1998-11, Vol.114 (1), p.120-128
Main Authors: Morgan, Lesley A., Tennyson, Jonathan, Gillan, Charles J.
Format: Article
Language:English
Subjects:
34.80.-i
34.80.Bm
34.80.Gs
Electron scattering
Molecules
R-matrix
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Summary:The R-matrix method has been used with great success in recent years to model low energy scattering of electrons and positrons by molecules. The codes, developed by a consortium of UK research groups as part of the Collaborative Computational Project 2 (CCP2), have now reached a high of robustness and stability. Their overall design is described in this paper.
ISSN:0010-4655
1879-2944
DOI:10.1016/S0010-4655(98)00056-3