Dora, A;
Tennyson, J;
(2020)
Electron collisions with CO molecule: potential energy curves of higher lying CO⁻ resonant states.
Journal of Physics B: Atomic, Molecular and Optical Physics
, 53
(19)
, Article 195202. 10.1088/1361-6455/aba5b0.
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Abstract
Resonance energies and widths of eight long-lived metastable electronic states of the CO− anion are obtained using the R-matrix method as a function of bond distance. High-level ab initio scattering calculations are performed for a large number (above 150) of fixed-nuclear geometries using the large cc-pV6Z Gaussian basis set and a close-coupling model involving 27 low-lying target states. Potential curves for narrow resonances, three 2Σ+, four 2Π and one 2Δ, in the 10–14 eV region are reported, along with the data on the low-lying 2Π shape resonance. These curves provide a starting point for performing nuclear dynamics and hence studies of dissociative attachment via these states.
| Type: | Article |
|---|---|
| Title: | Electron collisions with CO molecule: potential energy curves of higher lying CO⁻ resonant states |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1088/1361-6455/aba5b0 |
| Publisher version: | https://doi.org/10.1088/1361-6455/aba5b0 |
| Language: | English |
| Additional information: | Original content from this work may be used under the terms of the Creative Commons Attribution 4.0 licence (https://creativecommons.org/licenses/by/4.0/). Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI. |
| 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/10110686 |
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