ExoMol line lists IV: The rotation-vibration spectrum of methane up to 1500 K

By Sergei N. Yurchenko, Jonathan Tennyson. 2014

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A new hot line list is calculated for 12 CH4 in its ground electronic state. This line list, called 10to10, contains 9.8 billion transitions and should be complete for temperatures up to 1500 K. It covers the wavelengths longer than 1 µm and includes all transitions to upper states with energies below hc · 18 000 cm −1 and rotational excitation up to J = 39. The line list is computed using the eigenvalues and eigenfunctions of CH4 obtained by variational solution of the Schr¨ odinger equation for the rotation–vibration motion of nuclei employing program TROVE and a new ‘spectroscopic’ potential energy surface (PES) obtained by refining an ab initio PES (CCSD(T)-F12c/aug-cc-pVQZ) through least-squares fitting to the experimentally derived energies with J = 0−4 and a previously reported ab initio dipole moment surface (CCSD(T)F12c/aug-cc-pVTZ). Detailed comparisons with other available sources of methane transitions including HITRAN, experimental compilations and other theoretical line lists show that these sources lack transitions both higher temperatures and near-infrared wavelengths. The 10to10 line list is suitable for modelling atmospheres of cool stars and exoplanets. It is available from the CDS data base as well as at www.exomol.com.

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

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Citations in the corpus

An Accurate, Extensive, and Practical Line List of Methane for the HITEMP Database (2020, background): “On the theoretical side, the hot bands and high-J transitions have been included in global variational CH4 line lists : ‘10to10’ (Yurchenko & Tennyson 2014), as part of the ExoMol project (Tennyson et al. 2016), and the Rey et al. (2014a) line list (referred to here as RNT2014) as a part of…”
Transmission spectral properties of clouds for hot Jupiter exoplanets (2014, methodology): “The opacities for gaseous CH4 are calculated from the new ExoMol line list (Yurchenko & Tennyson 2014), with the line width parameters as in Amundsen et al. (2014).”
ExoMol molecular line lists – XXXV. A rotation-vibration line list for hot ammonia (2019, methodology): “Canty et al. (2015) analysed the spectra of late T dwarfs assigning a variety of features to ammonia and methane using the BYTe and 10to10 (Yurchenko & Tennyson 2014) line lists, respectively.”
A NEW APPROACH TO ANALYZING HST SPATIAL SCANS: THE TRANSMISSION SPECTRUM OF HD 209458 b (2015, methodology): “This work was supported by STFC (ST/K502406/1) and the ERC projects ExoLights (617119) and ExoMol (267219) APPENDIX TARGET POSITION During the calibration process, as explained in section 2.4, we calculate the physical position of the star on the detector using Equation 2: x∗ = x0 + (507− 0.5L) + ∆x”
SIMULTANEOUS DETECTION OF WATER, METHANE, AND CARBON MONOXIDE IN THE ATMOSPHERE OF EXOPLANET HR 8799 b (2015, methodology): “For this study, the grid of exoplanet atmospheres models described in B11 was updated to include the methane linelist from Yurchenko & Tennyson (2014) supplemented with optical opacities from Karkoschka & Tomasko (2010).”
DETECTION OF AN ATMOSPHERE AROUND THE SUPER-EARTH 55 CANCRI E (2015, methodology): “…transmission spectra are generated using cross sections based on the line lists from ExoMol (Tennyson & Yurchenko 2012; Barber et al. 2006; Yurchenko et al. 2011; Barton et al. 2013; Yurchenko & Tennyson 2014; Barber et al. 2014), HITRAN (Rothman et al. 2009, 2013) and HITEMP (Rothman et al. 2010).”
Exoplanetary Atmospheres: Key Insights, Challenges, and Prospects (2019, background): “ular species of importance for exoplanetary atmospheres (260). For example, recent line lists are now available for various species including H 2O (10, 221), CO (221, 147), CO 2 (221, 108, 109), CH 4 (284, 285), NH 3 (283), HCN (100, 11), collisioninduced-absorption (215) and AlO (203). These develo”
A Population Study of Gaseous Exoplanets (2017, methodology): “We modeled the transmission spectra using a variety of possible molecular opacities, namely H2O, CH4, CO, CO2, NH3, TiO, and VO.”
The ExoMol database: Molecular line lists for exoplanet and other hot atmospheres (2016, background): “[96] IV CH4 1 2000 1 34 153 806 005 YT34to10 4 Yurchenko and Tennyson [97], Yurchenko et al.”
GASEOUS MEAN OPACITIES FOR GIANT PLANET AND ULTRACOOL DWARF ATMOSPHERES OVER A RANGE OF METALLICITIES AND TEMPERATURES (2014, methodology): “Molecule Name Opacity Source(s) CH4 Yurchenko et al. (2013);Yurchenko & Tennyson (2014);Karkoschka (1994); HITRAN’08a isotopes;b CO HITEMP’10c; Tipping (1976) CO2 Huang et al. (2014); Huang et al. (2013) CrH Burrows et al. (2002) FeH Dulick et al. (2003); Hargreaves et al. (2010) H2O Partridge &…”
Retrieving scattering clouds and disequilibrium chemistry in the atmosphere of HR 8799e (2020, methodology): “For planets such as HR 8799bcde, disequilibrium chemistry means that CO is more and CH4 is less abundant then predicted from chemical equilibrium, due to atmospheric mixing overruling the chemical reactions in the upper atmosphere.”
H2O abundances and cloud properties in ten hot giant exoplanets (2018, methodology): “In particular, our CH4, HCN, and NH3 molecular line data are from EXOMOL (Tennyson et al. 2016; Yurchenko et al. 2011; Barber et al. 2014; Yurchenko & Tennyson 2014) and the line data for H2O, CO, and CO2 are obtained from HITEMP (Rothman et al. 2010).”
 ?> -REx. II. RETRIEVAL OF EMISSION SPECTRA (2015, methodology): “In this work we use the new YT10to10 CH4 line-list (Yurchenko & Tennyson 2014).”
Mass–Metallicity Trends in Transiting Exoplanets from Atmospheric Abundances of H2O, Na, and K (2019, background): “In the solar system giant planets, CH4 is thought to contain most of the carbon given their low temperatures.”
The 2020 release of the ExoMol database: Molecular line lists for exoplanet and other hot atmospheres (2020, background): “[96] IV CH4 1 2000 1 34 153 806 005 YT34to10 4 Yurchenko and Tennyson [97], Yurchenko et al.”
Observing the Atmospheres of Known Temperate Earth-sized Planets with JWST (2017, methodology): “The opacity database is based on Freedman et al. (2008) with updates described in Freedman et al. (2014), including methane (Yurchenko & Tennyson 2014) and carbon dioxide (Huang et al. 2013, 2014).”