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Related papers: ExoMol line lists -- LI. Molecular line list for l…

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Sulphur trioxide (SO$_3$) is a trace species in the atmospheres of the Earth and Venus, as well as well as being an industrial product and an environmental pollutant. A variational line list for $^{32}$S$^{16}$O$_{3}$, named UYT2, is…

Earth and Planetary Astrophysics · Physics 2016-09-21 Daniel S. Underwood , Sergei N. Yurchenko , Jonathan Tennyson , Ahmed F. Al-Refaie , Sønnik Clausen , Alexander Fateev

The ExoMol database (www.exomol.com) provides extensive line lists of molecular transitions which are valid over extended temperatures ranges. The status of the current release of the database is reviewed and a new data structure is…

The GYT line list covering rotational, rovibrational and rovibronic transitions of the mercapto radical SH is presented. This work extends and replaces the SNaSH line list [Yurchenko et al., 2018, MNRAS, 478, 270] which covers the ground…

Earth and Planetary Astrophysics · Physics 2019-10-25 Maire N. Gorman , Sergei N. Yurchenko , Jonathan Tennyson

An accurate line list for calcium oxide is presented covering transitions between all bound ro-vibronic levels from the five lowest electronic states \X, \Ap, \A, \astate, and \bstate. The ro-vibronic energies and corresponding…

Astrophysics of Galaxies · Physics 2016-07-05 Sergei N. Yurchenko , Audra Blissett , Usama Asari , Marcus Vasilios , Christian Hill , Jonathan Tennyson

Empirical line lists for the open shell molecule $^{89}$Y$^{16}$O (yttrium oxide) and its isotopologues are presented. The line lists cover the 6 lowest electronic states: $X {}^{2}\Sigma^{+}$, $A {}^{2}\Pi$, $A' {}^{2}\Delta$, $B…

Solar and Stellar Astrophysics · Physics 2023-11-14 Sergei N. Yurchenko , Ryan P. Brady , Jonathan Tennyson , Alexander N. Smirnov , Oleg A. Vasilyev , Victor G. Solomonik

Hot line lists for two isotopologues of water, \octo\ and \heto, are presented. The calculations employ newly constructed potential energy surfaces (PES) which take advantage of a novel method for using the large set of experimental energy…

The sodium monoxide radical (NaO) is observed in night glow in the Earth's mesosphere and likely has astronomical importance. This study concerns the optical transitions within the ground X $^2\Pi$ state and to the very low-lying…

Chemical Physics · Physics 2022-10-26 G. B. Mitev , S. Taylor , Jonathan Tennyson , S. N. Yurchenko , A. A. Buchachenko , A. V. Stolyarov

A comprehensive, calculated line list of frequencies and transition probabilities for the singly deuterated isotopologue of H3+, H2D+, is presented. The line list, called ST1, contains over 22 million rotational-vibrational transitions…

Computational Physics · Physics 2010-05-11 Taha Sochi , Jonathan Tennyson

New MiZo line lists are presented for the D$_2$H$^+$ and D$_3^+$ isotopologues of H$_3^+$. These line lists plus the existing H$_3^+$ MiZATeP and the Sochi H$_2$D$^+$ line lists are updated using empirical energy levels generated using the…

SiS has long been observed in the circumstellar medium of the carbon-rich star IRC+10216 CW Leo. Comprehensive and accurate rotation-vibrational line lists and partition functions are computed for 12 isotopologues of silicon sulphide…

Solar and Stellar Astrophysics · Physics 2018-08-21 Apoorva Upadhyay , Eamon K. Conway , Jonathan Tennyson , Sergei N. Yurchenko

A new silicon monoxide ($^{28}$Si$^{16}$O) line list covering infrared, visible and ultraviolet regions called SiOUVenIR is presented. This line list extends the infrared EBJT ExoMol line list by including vibronic transitions to the…

We describe the recent updates to the ExoMol database regarding the molecular spectral line shapes. ExoMol provides comprehensive molecular line lists with a special emphasis on the applications involving characterization of atmospheres of…

Earth and Planetary Astrophysics · Physics 2017-11-01 Sergey Yurchenko , Jonathan Tennyson , Emma J. Barton

The best molecular line lists for astrophysical applications today require both high accuracy of line positions for strong lines as well as high overall completeness. The former is required to enable, for example, molecular detection in…

The discovery of extrasolar planets is one of the major scientific advances of the last two decades. Hundreds of planets have now been detected and astronomers are beginning to characterise their composition and physical characteristics. To…

Earth and Planetary Astrophysics · Physics 2015-03-20 Jonathan Tennyson , Sergei N. Yurchenko

Extensive rovibrational line lists are constructed for 12 isotopologues of carbon dioxide: $^{12}$C$^{16}$O$_2$, $^{13}$C$^{16}$O$_2$, $^{12}$C$^{17}$O$_2$, $^{13}$C$^{17}$O$_2$, $^{12}$C$^{18}$O$_2$, $^{13}$C$^{18}$O$_2$,…

H$_3^+$ is a ubiquitous and important astronomical species whose spectrum has been observed in the interstellar medium, planets and tentatively in the remnants of supernova SN1897a. Its role as a cooler is important for gas giant planets…

A rotation-vibration line list for the electronic ground state ($\tilde{X}^{1}A_{1}$) of SiH$_2$ is presented. The line list, named CATS, is suitable for temperatures up to 2000 K and covers the wavenumber range 0 - 10,000…

Chemical Physics · Physics 2020-04-03 Victoria H. J. Clark , Alec Owens , Jonathan Tennyson , Sergei N. Yurchenko

A new line list for AlH is produced. The WYLLoT line list spans two electronic states $X\,{}^1\Sigma^+$ and $A\,{}^1\Pi$. A diabatic model is used to model the shallow potential energy curve of the $A\,{}^1\Pi$ state, which has a strong…

Solar and Stellar Astrophysics · Physics 2018-08-21 Sergei N. Yurchenko , Henry Williams , Paul C. Leyland , Lorenzo Lodi , Jonathan Tennyson

Comprehensive vibration-rotation line lists for eight isotopologues of carbon monosulphide (CS) ($^{12}$C$^{32}$S, $^{12}$C$^{33}$S, $^{12}$C$^{34}$S, $^{12}$C$^{36}$S, $^{13}$C$^{32}$S, $^{13}$C$^{33}$S, $^{13}$C$^{34}$S, $^{13}$C$^{36}$S)…

Astrophysics of Galaxies · Physics 2015-10-21 Geethu Paulose , Emma J. Barton , Sergei N. Yurchenko , Jonathan Tennyson

New ExoMol line lists AloHa for AlH and AlD are presented improving the previous line lists WYLLoT (Yurchenko et al., MNRAS 479, 1401 (2018)). The revision is motivated by the recent experimental measurements and astrophysical findings…