Emma J. Barton

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

The ExoMol database (www.exomol.com) provides extensive line lists of molecular transitions which are valid over extended temperature 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, Lande 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.

Tau-Rex I: A Next Generation Retrieval Code for Exoplanetary Atmospheres

Spectroscopy of exoplanetary atmospheres has become a well established method for the characterisation of extrasolar planets. We here present a novel inverse retrieval code for exoplanetary atmospheres. T-REx (Tau Retrieval for Exoplanets) is a line-by-line radiative transfer fully Bayesian retrieval framework. T-REx includes the following features: 1) the optimised use of molecular line-lists from the ExoMol project; 2) an unbiased atmospheric composition prior selection, through custom built pattern recognition software; 3) the use of two independent algorithms to fully sample the Bayesian likelihood space: nested sampling as well as a more classical Markov Chain Monte Carlo approach; 4) iterative Bayesian parameter and model selection using the full Bayesian Evidence as well as the Savage-Dickey Ratio for nested models, and 5) the ability to fully map very large parameter spaces through optimal code parallelisation and scalability to cluster computing. In this publication we outline the T-REx framework and demonstrate, using a theoretical hot-Jupiter transmission spectrum, the parameter retrieval and model selection. We investigate the impact of Signal-to-Noise and spectral resolution on the retrievability of individual model parameters, both in terms of error bars on the temperature and molecular mixing ratios as well as its effect on the models global Bayesian evidence.

DETECTION OF AN ATMOSPHERE AROUND THE SUPER-EARTH 55 CANCRI E

We report the analysis of two new spectroscopic observations of the super-Earth 55 Cancri e, in the near infrared, obtained with the WFC3 camera onboard the HST. 55 Cancri e orbits so close to its parent star, that temperatures much higher than 2000 K are expected on its surface. Given the brightness of 55 Cancri, the observations were obtained in scanning mode, adopting a very long scanning length and a very high scanning speed. We use our specialized pipeline to take into account systematics introduced by these observational parameters when coupled with the geometrical distortions of the instrument. We measure the transit depth per wavelength channel with an average relative uncertainty of 22 ppm per visit and find modulations that depart from a straight line model with a 6

ExoMol line lists - II. The ro-vibrational spectrum of SiO

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REx. II. RETRIEVAL OF EMISSION SPECTRA

confidence level. These results suggest that 55 Cancri e is surrounded by an atmosphere, which is probably hydrogen-rich. Our fully Bayesian spectral retrieval code, T-REx, has identified HCN to be the most likely molecular candidate able to explain the features at 1.42 and 1.54

ExoMol molecular line lists – XII. Line lists for eight isotopologues of CS

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Molecular line shape parameters for exoplanetary atmospheric applications

m. While additional spectroscopic observations in a broader wavelength range in the infrared will be needed to confirm the HCN detection, we discuss here the implications of such result. Our chemical model, developed with combustion specialists, indicates that relatively high mixing ratios of HCN may be caused by a high C/O ratio. This result suggests this super-Earth is a carbon-rich environment even more exotic than previously thought.

ExoMol molecular line lists V: the ro-vibrational spectra of NaCl and KCl

Accurate rotation-vibration line lists are calculated for silicon monoxide. Line lists are presented for the main isotopologue, SiO, and for four monosubsituted isotopologues (SiO, SiO, SiO and SiO), in their ground electronic states. These line lists are suitable for high temperatures (up to 9000 K) including those relevant to exoplanetary atmospheres and cool stars. A combination of empirical and ab initio methods is used: the potential energy curves are determined to high accuracy by fitting to extensive data from the analysis of both laboratory and sunspot spectra; a high quality ab initio dipole moment curve is calculated at the large basis set, multi-reference configuration interaction level. A partition function plus full line lists of rotation-vibration transitions are made available in an electronic form as supplementary data to this article and at www.exomol.com.Accurate rotation-vibration line lists for two molecules, NaCl and KCl, in their ground electronic states are presented. These line lists are suitable for temperatures relevant to exoplanetary atmospheres and cool stars (up to 3000 K). Isotopologues NaCl, NaCl, KCl, KCl, KCl and KCl are considered. Laboratory data was used to refine ab initio potential energy curves in order to compute accurate ro-vibrational energy levels. Einstein A coefficients are generated using newly determined ab initio dipole moment curves calculated using the CCSD(T) method. New Dunham Yij constants for KCl are generated by a reanalysis of a published Fourier transform infrared emission spectra. Partition functions plus full line lists of ro-vibration transitions are made available in an electronic form as supplementary data to this article and at www.exomol.com. molecular data; opacity; astronomical data bases: miscellaneous; planets and satellites: atmospheres; stars: low-mass

A near infrared line list for NH3: Analysis of a Kitt Peak spectrum after 35 years

Tau-REx (Tau Retrieval of Exoplanets) is a novel, fully Bayesian atmospheric retrieval code custom built for extrasolar atmospheres. In Waldmann et al. (2015) the transmission spectroscopic case was introduced, here we present the emission spectroscopy spectral retrieval for the Tau-REx framework. Compared to transmission spectroscopy, the emission case is often significantly more degenerate due to the need to retrieve the full atmospheric temperature-pressure (TP) profile. This is particularly true in the case of current measurements of exoplanetary atmospheres, which are either of low signal-to-noise, low spectral resolution or both. Here we present a new way of combining two existing approaches to the modelling of the said TP profile: 1) the parametric profile, where the atmospheric TP structure is analytically approximated by a few model parameters, 2) the Layer-by-Layer approach, where individual atmospheric layers are modelled. Both these approaches have distinct advantages and disadvantages in terms of convergence properties and potential model biases. The Tau-REx hybrid model presented here is a new two-stage TP profile retrieval, which combines the robustness of the analytic solution with the accuracy of the Layer-by-Layer approach. The retrieval process is demonstrated using simulations of the hot-Jupiter WASP-76b and the hot SuperEarth 55 Cnc e, as well as on the secondary eclipse measurements of HD189733b.

Pressure-dependent water absorption cross sections for exoplanets and other atmospheres

Comprehensive vibration-rotation line lists for eight isotopologues of carbon monosulphide (CS) (