Gorfinkiel, J.D.;
Tennyson, J.;
(2005)
Electron impact ionization of small molecules at intermediate energies: the molecular R-matrix with pseudostates method.
Journal of Physics B: Atomic, Molecular and Optical Physics
, 38
(11)
pp. 1607-1622.
10.1088/0953-4075/38/11/003.
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Abstract
A procedure for the ab initio study of electron–molecule collisions at intermediate energies is presented in detail. The molecular R-matrix with pseudostates method is based on the inclusion of discretized continuum states in the close-coupling expansion. This method allows, for the first time, the calculation of totally ab initio cross sections for electron impact ionization of molecules as well as for electronic excitation above the first ionization threshold. The method is general and can be applied to multielectron targets. Results for collisions with H+3 and H2 are presented. Numerical considerations necessary for performing a successful calculation are detailed.
| Type: | Article |
|---|---|
| Title: | Electron impact ionization of small molecules at intermediate energies: the molecular R-matrix with pseudostates method |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1088/0953-4075/38/11/003 |
| Publisher version: | http://www.iop.org/EJ/abstract/0953-4075/38/11/003... |
| Language: | English |
| UCL classification: | 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/1331 |
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