Synthetic spectra of BeH, BeD and BeT for emission modeling in JET plasmas

Journal of Quantitative Spectroscopy and Radiative Transfer

Al-Refaie

et al. 2020

183

161

The ExoMol database ( www.exomol.com ) provides molecular data for spectroscopic studies of hot atmospheres. While the data are intended for studies of exoplanets and other astronomical bodies, the dataset is widely applicable. The basic form of the database is extensive line lists; these are supplemented with partition functions, state lifetimes, cooling functions, Landé g-factors, temperature-dependent cross sections, opacities, pressure broadening parameters, k -coefficients and dipoles. This paper presents the latest release of the database which has been expanded to consider 80 molecules and 190 isotopologues totaling over 700 billion transitions. While the spectroscopic data are concentrated at infrared and visible wavelengths, ultraviolet transitions are being increasingly considered in response to requests from observers. The core of the database comes from the ExoMol project which primarily uses theoretical methods, albeit usually fine-tuned to reproduce laboratory spectra, to generate very extensive line lists for studies of hot bodies. The data have recently been supplemented by line lists derived from direct laboratory observations, albeit usually with the use of ab initio transition intensities. A major push in the new release is towards accurate characterisation of transition frequencies for use in high resolution studies of exoplanets and other bodies.

Section: Beh Paper Imentioning

confidence: 99%

The 2020 release of the ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

Journal of Quantitative Spectroscopy and Radiative Transfer

Al-Refaie

et al. 2020

183

161

“…BeH: Darby-Lewis et al [138] have recently developed a new model for beryllium monohydride, which both improves (marginally) on the earlier Yadin line list [51] and, more significantly, includes a treatment of the A 2 Π-X 2 Σ + band. This band has been observed in sunspot [139], but the motivation for extending the line list was actually fusion plasmas where the use of Be walls has led to the observation of A-X emissions in the plasma [140].…”

Section: Hcn: the Line List Shown Inmentioning

confidence: 99%

“…Masseron et al [83] also provide a line list for 13 CH. [138], AlH is the new ExoMol line list [76] and CH is the empirical work of Masseron et al [83]; the CH line list is only defined for T > 1000 K. Figure 8 shows temperature dependent cross sections for HCl, HS, CrH, and OH. HCl: the line list used to generate the HCl cross sections given in Figure 8 was generated alongside line lists for other hydrogen halides, namely HF, HBr and HI, using semi-empirical methods by Li.…”

Section: Hcn: the Line List Shown Inmentioning

confidence: 99%

The ExoMol Atlas of Molecular Opacities

2018

Atoms

Abstract:The ExoMol project is dedicated to providing molecular line lists for exoplanet and other hot atmospheres. The ExoMol procedure uses a mixture of ab initio calculations and available laboratory data. The actual line lists are generated using variational nuclear motion calculations. These line lists form the input for opacity models for cool stars and brown dwarfs as well as for radiative transport models involving exoplanets. This paper is a collection of molecular opacities for 52 molecules (130 isotopologues) at two reference temperatures, 300 K and 2000 K, using line lists from the ExoMol database. So far, ExoMol line lists have been generated for about 30 key molecular species. Other line lists are taken from external sources or from our work predating the ExoMol project. An overview of the line lists generated by ExoMol thus far is presented and used to evaluate further molecular data needs. Other line lists are also considered. The requirement for completeness within a line list is emphasized and needs for further line lists discussed.

“…Doppler, Voigt etc) under the Boltzmann as well as non-LTE thermodynamic equilibrium (Darby-Lewis et al 2018). Other useful functionality include computing lifetimes , stick spectra, partition functions, cooling functions, and specific heats.…”

Section: Introductionmentioning

confidence: 99%

EXOCROSS: a general program for generating spectra from molecular line lists

Al-Refaie

2018

A&A

170

166

ExoCross is a Fortran code for generating spectra (emission, absorption) and thermodynamic properties (partition function, specific heat etc.) from molecular line lists. Input is taken in several formats, including ExoMol and HITRAN formats. ExoCross is efficiently parallelized showing also a high degree of vectorization. It can work with several line profiles such as Doppler, Lorentzian and Voigt and support several broadening schemes. Voigt profiles are handled by several methods allowing fast and accurate simulations. Two of these methods are new. ExoCross is also capable of working with the recently proposed method of super-lines. It supports calculations of lifetimes, cooling functions, specific heats and other properties. ExoCross can be used to convert between different formats, such as HITRAN, ExoMol and Phoenix. It is capable of simulating non-LTE spectra using a simple two-temperature approach. Different electronic, vibronic or vibrational bands can be simulated separately using an efficient filtering scheme based on the quantum numbers.