Exomol Rovibrational Linelist For Nao

Mitev, Georgi B

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https://hdl.handle.net/2142/111499 Copy

Description

Title

Exomol Rovibrational Linelist For Nao

Author(s)

Mitev, Georgi B

Contributor(s)

• Taylor, Steven
• Stolyarov, Andrey
• Buchachenko, Alexei
• Yurchenko, Sergei N.
• Tennyson, Jonathan

Issue Date

2021-06-22

Keyword(s)

Linelists

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."

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Permalink

http://hdl.handle.net/2142/111499

DOI

10.15278/isms.2021.TF04

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