Epée Epée, MD;
Motapon, O;
Chakrabarti, K;
Tennyson, Jonathan;
(2023)
Theoretical investigation of Rydberg states of He₂ using the R-matrix method.
Molecular Physics
10.1080/00268976.2023.2295013.
(In press).
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Abstract
Bound states of the He2 molecule are determined from an electron-He+2 collision calculation using the R-matrix method. The calculations are performed at a moderately dense grid of 35 internuclear separations are used to characterise He2 Rydberg states with n≤7 . Potential energy curves for singlet 1Σ+g , 1Σ+u , 1Πg , 1Πu and 1Δu and triplet 3Σ+g , 3Σ+u , 3Πg , 3Πu and 3Δu Rydberg states of He2 as well as effective quantum numbers as a function of internuclear separation are calculated. Based on the potential energy curves of A1Σ+g , B 1Πg , C 1Σ+u , F 1Πu and a 3Σ+u , b 3Πg , c 3Σ+g , f 3Πu , spectroscopic parameters (Te , De,Re,ωe,ωexe,αe and Be) of these states have been determined and compared with theoretical and experimental data available.
| Type: | Article |
|---|---|
| Title: | Theoretical investigation of Rydberg states of He₂ using the R-matrix method |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1080/00268976.2023.2295013 |
| Publisher version: | https://doi.org/10.1080/00268976.2023.2295013 |
| Language: | English |
| Additional information: | © 2023 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. The terms on which this article has been published allow the posting of the Accepted Manuscript in a repository by the author(s) or with their consent. |
| 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-pp.ucl.ac.uk/id/eprint/10185028 |
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