The ExoMol database: molecular line lists for exoplanet and other hot atmospheres

Abstract

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 specified. This structure augments the provision of energy levels (and hence transition frequencies) and Einstein $A$ coefficients with other key properties, including lifetimes of individual states, temperature-dependent cooling functions, Landé $g$-factors, partition functions, cross sections, $k$-coefficients and transition dipoles with phase relations. Particular attention is paid to the treatment of pressure broadening parameters. The new data structure includes a definition file which provides the necessary information for utilities accessing ExoMol through its application programming interface (API). Prospects for the inclusion of new species into the database are discussed.

68 pages, 24 Tables, 1 figure. Updated corrects minor errors in format statements

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• A high accuracy computed water line list
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• A variationally computed line list for hot NH3
• Atomic and Molecular Opacities for Brown Dwarf and Giant Planet Atmospheres
• ExoMol line lists III: An improved hot rotation-vibration line list for HCN and HNC
• Recommended isolated-line profile for representing high-resolution spectroscopic transitions (IUPAC Technical Report)
• CH in stellar atmospheres: an extensive linelist
• Tau-REx I: A next generation retrieval code for exoplanetary atmospheres
• Manipulation of Molecules with Electromagnetic Fields
• Detection of carbon monoxide in the high-resolution day-side spectrum of the exoplanet HD 189733b
• Detection of an atmosphere around the super-Earth 55 Cancri e
• Duo: a general program for calculating spectra of diatomic molecules
• Hot and Diffuse Clouds near the Galactic Center Probed by Metastable H3+
• ExoMol molecular line lists - XIV: The rotation-vibration spectrum of hot SO${}_2$
• TiO and H${}_2$O absorption lines in cool stellar atmospheres
• Accuracy tests of radiation schemes used in hot Jupiter global circulation models
• Carbon monoxide and water vapor in the atmosphere of the non-transiting exoplanet HD 179949 b
• ExoMol line lists VII: The rotation-vibration spectrum of phosphine up to 1500 K
• Tau-REx II: Retrieval of emission spectra
• The temperatures of Red Supergiants
• Partition functions and equilibrium constants for diatomic molecules and atoms of astrophysical interest
• ExoMol line lists II: The ro-vibrational spectrum of SiO
• ExoMol molecular line lists V: The ro-vibrational spectra of NaCl and KCl
• New CrH Opacities for the Study of L and Brown Dwarf Atmospheres
• Theoretical Emission Spectra of Atmospheres of Hot Rocky Super-Earths
• Vaporization of the Earth: Application to Exoplanet Atmospheres
• ExoMol molecular line lists: IX The spectrum of AlO
• The hyperfine energy levels of alkali metal dimers: ground-state polar molecules in electric and magnetic fields
• A search for TiO in the optical high-resolution transmission spectrum of HD 209458b: Hindrance due to inaccuracies in the line database
• Temperature-dependent molecular absorption cross sections for exoplanets and other atmospheres
• The spectrum of hot methane in astronomical objects using a comprehensive computed line list
• Hubble Space Telescope detection of oxygen in the atmosphere of exoplanet HD189733b
• CRIRES spectroscopy and empirical line-by-line identification of FeH molecular absorption in an M dwarf
• ExoMol line lists VIII: A variationally computed line list for hot formaldehyde
• ExoMol molecular line lists - XIII: The spectrum of CaO
• Spectroscopic Constants, Abundances, and Opacities of the TiH Molecule
• Molecular astronomy of cool stars and sub-stellar objects
• The orbital phases and secondary transit of Kepler-10b - A physical interpretation based on the Lava-ocean planet model -
• The {\it ab initio} calculation of spectra of open shell diatomic molecules
• Radiative cooling functions for primordial molecules
• Calculated spectra for HeH+ and its effect on the opacity of cool metal poor stars
• Fluctuations and Flares in the Ultraviolet Line Emission of Cool Stars: Implications for Exoplanet Transit Observations
• Effect of Pressure Broadening on Molecular Absorption Cross Sections in Exoplanetary Atmospheres
• ExoMol molecular line lists X: The spectrum of sodium hydride
• Absorption Line Survey of H3+ toward the Galactic Center Sources I. GCS 3-2 and GC IRS3
• Cool luminous stars: the hybrid nature of their infrared spectra -- Carbon, oxygen, and their isotopic abundances in 23 K - M giant stars
• Radiative lifetimes and cooling functions for astrophysically important molecules
• A H13CN/HN13C linelist, model atmospheres and synthetic spectra for carbon stars
• Accurate \textit{ab initio} vibrational energies of methyl chloride
• Experimental energy levels and partition function of the ${}^{12}$C${}_2$ molecule
• A Computed Room Temperature Line List for Phosphine
• The calculated rovibronic spectrum of scandium hydride, ScH
• Mechanism of Collisional Spin Relaxation in Triplet-Sigma Molecules
• A theoretical room-temperature line list for 15NH3
• ExoMol molecular line lists XII: Line Lists for 8 isotopologues of CS
• Exomol molecular line lists VI: A high temperature line list for Phosphorus Nitride
• The rovibrational spectrum of BeH, MgH and CaH at high temperatures in the $X{}^2{\Sigma }^{+}$ state: a theoretical study
• Molecules as magnetic probes of starspots
• The hyperfine energy levels of alkali metal dimers: ground-state homonuclear molecules in magnetic fields
• ExoMol line lists XV: A new hot line list for hydrogen peroxide
• ExoMol molecular line lists: XI The spectrum of nitric acid
• Non-adiabatic preparation of spin crystals with ultracold polar molecules
• Hybrid variation-perturbation method for calculating rovibrational energy levels of polyatomic molecules
• A near infrared line list for \NH: Analysis of a Kitt Peak spectrum after 35 years
• TAU: A 1D radiative transfer code for transmission spectroscopy of extrasolar planet atmospheres
• An ab initio variationally computed room-temperature line list for SO3
• Accurate Prediction of the Ammonia Probes of a Variable Proton-to-Electron Mass Ratio
• Microwave state transfer and adiabatic dynamics of magnetically trapped polar molecules
• Visible line intensities of the triatomic hydrogen ion from experiment and theory
• A hybrid variational-perturbation calculation of the ro-vibrational spectrum of nitric acid
• The electronic bands of CrD, CrH, MgD and MgH: application to the "deuterium test"
• Collisions of paramagnetic molecules in magnetic fields: an analytic model based on Fraunhofer diffraction of matter waves
• Paschen-Back effect in the CrH molecule and its application for magnetic field measurements on stars, brown dwarfs, and hot exoplanets
• Accurate prediction of H${}_3$O${}^{+}$ and D${}_3$O${}^{+}$ sensitivity coefficients to probe a variable proton-to-electron mass ratio
• Fine Structure of Open Shell Diatomic Molecules in Combined Electric and Magnetic Fields
• The Status of Spectroscopic Data for the Exoplanet Characterisation Missions

Cited by in corpus (270)

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• ExoMol Molecular linelists -- XXXIII. The spectrum of Titanium Oxide
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• Phosphine Gas in the Cloud Decks of Venus
• ExoMol molecular line lists XXXV: a rotation-vibration line list for hot ammonia
• The 2020 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres
• An accurate, extensive, and practical line list of methane for the HITEMP database
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• Duo: a general program for calculating spectra of diatomic molecules
• Constraining the thermally-pulsing asymptotic giant branch phase with resolved stellar populations in the Small Magellanic Cloud
• H${}_2$O abundances and cloud properties in ten hot giant exoplanets
• ExoCross: a general program for generating spectra from molecular line lists
• ExoMol molecular line lists - XIV: The rotation-vibration spectrum of hot SO${}_2$
• TauREx III: A fast, dynamic and extendable framework for retrievals
• Accuracy and precision of industrial stellar abundances
• Constraining the thermally pulsing asymptotic giant branch phase with resolved stellar populations in the Large Magellanic Cloud
• A hybrid line list for CH${}_4$ and hot methane continuum
• The ExoMolOP Database: Cross-sections and k-tables for Molecules of Interest in High-Temperature Exoplanet Atmospheres
• Hot Exoplanet Atmospheres Resolved with Transit Spectroscopy (HEARTS) IV. A spectral inventory of atoms and molecules in the high-resolution transmission spectrum of WASP-121 b
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• HELIOS-K 2.0 Opacity Calculator and Open-source Opacity Database for Exoplanetary Atmospheres
• Retrieval of planetary and stellar properties in transmission spectroscopy with Aura
• ExoMol molecular line lists -- XXXVII: spectra of acetylene
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• Titanium oxide and chemical inhomogeneity in the atmosphere of the exoplanet WASP-189b
• Retrieval of Exoplanet Emission Spectra with HyDRA
• The UK Met Office GCM with a sophisticated radiation scheme applied to the hot Jupiter HD 209458b
• Spectroscopic line parameters of NO, NO${}_2$, and N${}_2$O for the HITEMP database
• Simulating the cloudy atmospheres of HD 209458 b and HD 189733 b with the 3D Met Office Unified Model
• On the robustness of analysis techniques for molecular detections using high resolution exoplanet spectroscopy
• Evidence for a Dayside Thermal Inversion and High Metallicity for the Hot Jupiter WASP-18b
• Sulphur dioxide in the mid-infrared transmission spectrum of WASP-39b
• The ARCiS framework for Exoplanet Atmospheres: Modelling Philosophy and Retrieval
• Five key exoplanet questions answered via the analysis of 25 hot Jupiter atmospheres in eclipse
• ExoMol molecular line lists - XXVII: spectra of C2H4
• New Avenues for Thermal Inversions in hot Jupiters
• Evidence for multiple molecular species in the hot Jupiter HD 209458b
• The SPHINX M-dwarf Spectral Grid. I. Benchmarking New Model Atmospheres to Derive Fundamental M-Dwarf Properties
• ExoMol molecular line lists - XXIII: spectra of PO and PS
• A comparison of exoplanet spectroscopic retrieval tools
• Perspective: Accurate ro-vibrational calculations on small molecules
• Towards a more complex description of chemical profiles in exoplanets retrievals: A 2-layer parameterisation
• The ExoMol project: Software for computing large molecular line lists
• ExoMol molecular line lists XIX: high accuracy computed hot line lists for H${}_2$${}^{18}$O and H${}_2$${}^{17}$O
• Direct Imaging and Astrometric Detection of a Gas Giant Planet Orbiting an Accelerating Star
• ARES I: WASP-76 b, A Tale of Two HST Spectra
• ExoMol line lists XXIV: A new hot line list for silicon monohydride, SiH
• ExoMol Line List XXI: Nitric Oxide (NO)
• ARES II: Characterising the Hot Jupiters WASP-127 b, WASP-79 b and WASP-62 b with HST
• Molecular Cross Sections for High Resolution Spectroscopy of Super Earths, Warm Neptunes and Hot Jupiters
• Hubble WFC3 Spectroscopy of the Habitable-zone Super-Earth LHS 1140 b
• The ExoMol Atlas of Molecular Opacities
• Retrieval survey of metals in six ultra-hot Jupiters: Trends in chemistry, rain-out, ionisation and atmospheric dynamics
• ExoMol line lists XXVIII: The rovibronic spectrum of AlH
• ExoMol line lists -- XLIV. IR and UV line list for silicon monoxide (SiO)
• Detection of an Atmosphere on a Rocky Exoplanet
• Marvel analysis of the measured high-resolution rovibrational spectra of H2S
• ExoMol line lists XXXI: Spectroscopy of lowest eights electronic states of C${}_2$
• No umbrella needed: Confronting the hypothesis of iron rain on WASP-76b with post-processed general circulation models
• Near-Infrared Transmission Spectroscopy of HAT-P-18b with NIRISS: Disentangling Planetary and Stellar Features in the Era of JWST
• The Pyrat Bay Framework for Exoplanet Atmospheric Modeling: A Population Study of Hubble/WFC3 Transmission Spectra
• ARES V: No Evidence For Molecular Absorption in the HST WFC3 Spectrum of GJ 1132 b
• Computational Doppler-limited dual-comb spectroscopy with a free-running all-fiber laser
• HyDRA-H: Simultaneous Hybrid Retrieval of Exoplanetary Emission Spectra
• Pressure-dependent water absorption cross sections for exoplanets and other atmospheres
• MARVEL analysis of the measured high-resolution rovibronic spectra of ${}^{48}$Ti${}^{16}$O
• Large Interferometer For Exoplanets (LIFE): III. Spectral resolution, wavelength range and sensitivity requirements based on atmospheric retrieval analyses of an exo-Earth
• MARVEL analysis of the measured high-resolution rovibrational spectra of C2H2
• OH mid-infrared emission as a diagnostic of H${}_2$O UV photodissociation. I. Model and application to the HH 211 shock
• ExoMol molecular line lists XX: a comprehensive line list for H${}_3^{+}$
• Laboratory spectra of hot molecules: data needs for hot super-Earth exoplanets
• Observability of signatures of transport-induced chemistry in clear atmospheres of hot gas giant exoplanets
• Awesome SOSS: Atmospheric Characterisation of WASP-96 b using the JWST Early Release Observations
• Self-consistent Models of Y Dwarf Atmospheres with Water Clouds and Disequilibrium Chemistry
• On The Compatibility of Ground-based and Space-based Data: WASP-96 b, An Example
• The Metal-Rich Atmosphere of the Neptune HAT-P-26b
• A comparison of chemical models of exoplanet atmospheres enabled by TauREx 3.1
• Signatures of Nitrogen Chemistry in Hot Jupiter Atmospheres
• Astrochemistry: overview and challenges
• Photochemistry in hot H2-dominated exoplanet atmospheres
• Direct Detection of Spin-(In)dependent Nuclear Scattering of Sub-GeV Dark Matter Using Molecular Excitations
• ARES III: Unveiling the Two Faces of KELT-7 b with HST WFC3
• Quartz Clouds in the Dayside Atmosphere of the Quintessential Hot Jupiter HD 189733 b
• Definitive ideal-gas thermochemical functions of the H${}_2$${}^{16}$O molecule
• Atmospheres as windows into sub-Neptune interiors: coupled chemistry and structure of hydrogen-silane-water envelopes
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• Atmospheric retrieval of Subaru/IRD high-resolution spectrum of the archetype T-type brown dwarf Gl 229 B
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• Revisiting the atmosphere of HAT-P-70b with CARMENES high-resolution transmission spectroscopy
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• A Large-scale Approach to Modelling Molecular Biosignatures: The Diatomics
• On the importance of laboratory experiments for interpreting exoplanet observations
• Atmospheric asymmetries in WASP-121 b revealed by rotational transits detected with JWST
• Bringing high-spectral resolution to VLT/SPHERE with a fibre coupling to VLT/CRIRES+
• VVV-WIT-13: an eruptive young star with cool molecular features
• Pre-computed aerosol extinction, scattering and asymmetry grids for scalable atmospheric retrievals
• The solar carbon, nitrogen, and oxygen abundances from a 3D LTE analysis of molecular lines
• Automated Graph-Based Detection of Quantum Control Schemes: Application to Molecular Laser Cooling
• All along the line of sight: a closer look at opening angles and absorption regions in the atmospheres of transiting exoplanets