ExoMol molecular line lists XXX: a complete high-accuracy line list for water

By Oleg L. Polyansky, Aleksandra Kyuberis, Nikolai F. Zobov, Jonathan Tennyson, Sergei N. Yurchenko, Lorenzo Lodi. Monthly notices of the Royal Astronomical Society, 2018

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A new line list for H$_2$$^{16}$O is presented. This line list, which is called POKAZATEL, includes transitions between rotation-vibrational energy levels up to 41000 cm$^{-1}$ in energy and is the most complete to date. The potential energy surface (PES) used for producing the line list was obtained by fitting a high-quality ab initio PES to experimental energy levels with energies of 41000 cm$^{-1}$ and for rotational excitations up to $J=5$. The final line list comprises all energy levels up to 41000 cm$^{-1}$ and rotational angular momentum $J$ up to 72. An accurate ab initio dipole moment surface (DMS) was used for the calculation of line intensities and reproduces high-precision experimental intensity data with an accuracy close to 1 %. The final line list uses empirical energy levels whenever they are available, to ensure that line positions are reproduced as accurately as possible. The POKAZATEL line list contains over 5 billion transitions and is available from the ExoMol website (www.exomol.com) and the CDS database.

Subfields: Atmospheric Science, Atomic and Molecular Physics, and Optics, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/a81d8097cd04694e4c474ef832572d3071db5fcc

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Citations in the corpus

High Tide or Riptide on the Cosmic Shoreline? A Water-rich Atmosphere or Stellar Contamination for the Warm Super-Earth GJ 486b from JWST Observations (2023, background): “The opacity contributions from these gases include line opacity (Tashkun & Perevalov 2011; Li et al. 2015; Yurchenko et al. 2017; Polyansky et al. 2018) and collision-induced absorption (CIA) from H2–H2, H2–N2, H2–CH4, H2–CO2, CO2–CO2, CO2–CH4, and N2–N2 (Karman et al. 2019).”
The ExoMol database: Molecular line lists for exoplanet and other hot atmospheres (2016, methodology): “POKAZATEL is complete in the sense that it contains transitions be- tween all bound rotation-vibration states in the molecule and thus is reliable for temperatures above 3000 K where the earlier line lists are not valid.”
The 2020 release of the ExoMol database: Molecular line lists for exoplanet and other hot atmospheres (2020, methodology): “[61] XXXI C2 3 5000 8 6 080 920 8states 4 Yurchenko et al.”
ExoMol molecular line lists – XXXV. A rotation-vibration line list for hot ammonia (2019, methodology): “This procedure has been used for other polyatomic ExoMol line lists (Barber et al. 2014; Polyansky et al. 2018) and has been shown to give good results (Huang, Schwenke & Lee 2019).”