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Title:Exomol Rovibrational Linelist For Nao
Author(s):Mitev, Georgi B
Contributor(s):Taylor, Steven; Stolyarov, Andrey; Buchachenko, Alexei; Yurchenko, Sergei N.; Tennyson, Jonathan
Abstract:Sodium oxide (NaO) is observed in airglows in the Earth's atmosphere and likely has astronomical importance. This study concerns the transitions with X~$^2\Pi$ and and to the very low-lying ($T_0 < 2000$ cm$^{-1}$) A~$^2\Sigma^+$ state. A line list consisting of energy levels, allowed transitions, Einstein coefficients, and a partition function are produced based on variational solution of the coupled rovibronic Schr\"{o}dinger equations using program Duo\footnote{S. Yurchenko, L. Lodi, J. Tennyson, A.V. Stolyarov, \emph{Comput. Phys. Comm.}, 2016, \textbf{202}, 262-275}. Ab initio calculations which characterized the potential energy, spin-orbit, $\Lambda$-doubling and (transition) dipole moment curves were used as starting points to form the final model. Ab initio PECs were parameterized using Morse potentials and improved by least-squares fitting to experimental data on the rotational spectrum by Yamada et al \footnote{C. Yamada, M. Fujitake, E. Hirota, \emph{J. Chem. Phys}, 1989, \textbf{90}, 3033} and the electronic spectrum by Joo et al \footnote{S. Joo, D.R. Worsnop, C.E. Kolb, S.K. Kim, D.R. Herschbach, \emph{J. Phys. Chem.}, 1999, \textbf{103}, 3193-3199}. A lack of data detailing the dissociation energies and vibrational structure of the X and A states prompts a request for further experimental study into the species which would allow further improvement of the model.
Issue Date:2021-06-22
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Date Available in IDEALS:2021-09-24

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