Darby-Lewis, D;
Shah, H;
Joshi, D;
Khan, F;
Kauwo, M;
Sethi, N;
Bernath, PF;
... Tennyson, J; + view all
(2019)
MARVEL analysis of the measured high-resolution spectra of ¹⁴NH.
Journal of Molecular Spectroscopy
, 362
pp. 69-76.
10.1016/j.jms.2019.06.002.
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Abstract
Rovibronic energy levels are determined for four low-lying electronic states (X ³Σ¯, A ³Π, a ¹Δ, and c ¹Π) of the imidogen free radical (¹⁴ NH) using the Marvel (Measured Active Rotational-Vibrational Energy Levels) technique. Compilation of transitions from both laboratory measurements and solar spectra, found in 18 publications, yields a dataset of 3002 rovibronic transitions forming elements of a measured spectroscopic network (SN). At the end of the MARVEL procedure, the majority of the transitions form a single, self-consistent SN component of 2954 rovibronic transitions and 1058 energy levels, 542, 403, and 58 for the X ³Σ¯, A ³Π, and c ¹Π electronic states, respectively. The a ¹Δ electronic state is characterized by 55 Λ-doublet levels, counting each level only once. Electronic structure computations show that unusually the CCSD(T) method does not accurately predict the a ¹Δ excitation energy even at the complete basis set limit.
| Type: | Article |
|---|---|
| Title: | MARVEL analysis of the measured high-resolution spectra of ¹⁴NH |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1016/j.jms.2019.06.002 |
| Publisher version: | https://doi.org/10.1016/j.jms.2019.06.002 |
| Language: | English |
| Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
| 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/10079153 |
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