Tennyson, J;
Brown, DB;
Munro, JJ;
Rozum, I;
Varambhia, HN;
Vinci, N;
(2007)
Quantemol-N: an expert system for performing electron molecule collision calculations using the R-matrix method.
In: Petrovic, ZL and Mason, NJ and Hamaguchi, S and RadmilovicRadenovic, M, (eds.)
Radicals and non-equilibrium processes in low-temperature plasmas : selected review articles and progress reports from the 5th EU-Japan Joint Symposium on Plasma Processing.
(pp. 12001 - 12001).
Iop publishing ltd: Bristol.
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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 |
| Event: | 5th EU-Japan Symposium on Plasma Processing. 7–9 March 2007, Belgrade, Serbia |
| Location: | Belgrade, SERBIA |
| Dates: | 2007-03-07 - 2007-03-09 |
| ISBN: | 1605602574 |
| ISBN-13: | 9781605602578 |
| 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: | This article is published under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI. |
| Keywords: | Impact rotational-excitation, low-energy, vibrational-excitation, cross-sections, dissociative recombination, polyatomic-molecules, silane scattering, continuum states, rydberg states, sih4 molecules |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences 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/137959 |
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