Tennyson, J.;
Brown, D.B.;
Munro, J.J.;
Rozum, I.;
Varambhia, H.N.;
Vinci, N.;
(2007)
Quantemol-N: an expert system for performing electron molecule collision calculations using the R-matrix method.
In:
5TH EU-Japan Joint Symposium on Plasma Processing, 7-9 March 2007, Belgrade, Serbia.
(pp. 012001:1-012001:12).
Institute of Physics Publishing Ltd: Bristol, UK.
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Abstract
The R-matrix method has been widely employed to ab initio calculations on a large variety of problems related to electron molecule scattering. The UK Molecular R-matrix Code, which are a synthesis between codes designed for quantum chemistry and electron atom scattering calculations, has proved particularly popular for these studies but is difficult for the non-specialist to use. The Quantemol-N software environment is designed for scientists with a minimal knowledge of scattering theory or quantum chemistry to use without the need of a complex and dedicated training. Their use is illustrated for low energy electron collisions with silane.
| Type: | Proceedings paper |
|---|---|
| Title: | Quantemol-N: an expert system for performing electron molecule collision calculations using the R-matrix method |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1088/1742-6596/86/1/012001 |
| Publisher version: | http://dx.doi.org/10.1088/1742-6596/86/1/012001 |
| Language: | English |
| Additional information: | © Institute of Physics and IOP Publishing Limited 2007 |
| UCL classification: | UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Space and Climate Physics UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/14416 |
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