MARVEL analysis of the measured high-resolution spectra of 14 NH
Abstract
Rovibronic energy levels are determined for four low-lying electronic states (X 3Σ- , A 3Π, a 1 Δ , and c 1 Π) 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 1 Π electronic states, respectively. The a 1 Δ 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 1 Δ excitation energy even at the complete basis set limit.
- Publication:
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Journal of Molecular Spectroscopy
- Pub Date:
- August 2019
- DOI:
- 10.1016/j.jms.2019.06.002
- arXiv:
- arXiv:1907.03237
- Bibcode:
- 2019JMoSp.362...69D
- Keywords:
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- Physics - Chemical Physics
- E-Print:
- J. Molec. Spectrosc., 362, 69-76 (2019)