University of Illinois Urbana-Champaign

Rovibronic Infrared And Visible Line List For O2

Somogyi, Wilfrid

Content Files
TC06_1.pptx
6151.pdf

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https://hdl.handle.net/2142/116638

Description

Title
Rovibronic Infrared And Visible Line List For O2
Author(s)
Somogyi, Wilfrid
Contributor(s)
  • Kim, Gap-Sue
  • Yurchenko, Sergei N.
Issue Date
2022-06-21
Keyword(s)
Linelists
Abstract
The increasingly frequent observations of hot, rocky, Earth-like exoplanets make the production of hot high-resolution line lists for geo-chemically relevant species all the more important. Furthermore, molecular oxygen (\chem{O_2}) is a critical biosignature molecule in atmospheric exoplanet retrievals and plays an important role in many chemical processes. Ab initio spectroscopy of the \chem{O_2} molecule is uniquely challenging due to the fact that dipole transitions are forbidden within the three lowest lying electronic levels of, and thus transitions in infrared and visible regions are due solely to higher order electric quadrupole and magnetic dipole moments. Nonetheless, accurate line lists for these spectral regions are vital for astronomical applications. We present results of MRCI calculations on the the $X^3\Sigma^-_g$, $a^1\Delta_g$, $b^1\Sigma^+_g$ and $d^1\Pi_g$ states, and related spin-orbit, and electric quadrupole couplings. Using the Duo program we then obtain a variational solution to the rovibronic Schr\"{o}dinger equation, and perform empirical refinement of the energy levels by fitting a Morse/Long-range potential energy curve, along with spin-orbit and spin-spin coupling functions. We also discuss ongoing and future work for the magnetic dipole moment transitions.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Handle URL
https://hdl.handle.net/2142/116638
DOI
https://doi.org/10.15278/isms.2022.TC06
Copyright and License Information
Copyright 2022 held by the authors

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Abstracts & Presentations - 2022 International Symposium on Molecular Spectroscopy PRIMARY