PyExoCross: a Python program for generating spectra and cross-sections from molecular line lists

Abstract

PyExoCross is a Python adaptation of the ExoCross Fortran application, PyExoCross is designed for postprocessing the huge molecular line lists generated by the ExoMol project and other similar initiatives such as the HITRAN and HITEMP databases. PyExoCross generates absorption and emission stick spectra, cross-sections, and other properties (partition functions, specific heats, cooling functions, lifetimes, and oscillator strengths) based on molecular line lists. PyExoCross calculates cross-sections with four line profiles: Doppler, Gaussian, Lorentzian, and Voigt profiles in both sampling and binned methods; a number of options are available for computing Voigt profiles which we test for speed and accuracy. PyExoCross supports importing and exporting line lists in the ExoMol and HITRAN/HITEMP formats. PyExoCross also provides conversion between the ExoMol and HITRAN data formats. In addition, PyExoCross has extra code for users to automate the batch download of line list files from the ExoMol database.

This version contains some minor corrections compared to the published version; 33 pages; and 13 high-resolution figures

References in corpus (40)

• SciPy 1.0--Fundamental Algorithms for Scientific Computing in Python
• Astropy: A Community Python Package for Astronomy
• The Cologne Database for Molecular Spectroscopy, CDMS, in the Virtual Atomic and Molecular Data Centre, VAMDC
• ExoMol molecular line lists XXX: a complete high-accuracy line list for water
• The ExoMol database: molecular line lists for exoplanet and other hot atmospheres
• ExoMol: molecular line lists for exoplanet and other atmospheres
• Atomic and Molecular Opacities for Brown Dwarf and Giant Planet Atmospheres
• Exoplanetary Atmospheres: Key Insights, Challenges and Prospects
• Early Release Science of the exoplanet WASP-39b with JWST NIRSpec PRISM
• ExoMol line lists III: An improved hot rotation-vibration line list for HCN and HNC
• The 2020 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres
• ExoMol line lists -- XXXIX. Ro-vibrational molecular line list for CO${}_2$
• ExoCross: a general program for generating spectra from molecular line lists
• ExoMol molecular line lists - XIV: The rotation-vibration spectrum of hot SO${}_2$
• The ExoMolOP Database: Cross-sections and k-tables for Molecules of Interest in High-Temperature Exoplanet Atmospheres
• SpectraPlot.com: Integrated Spectroscopic Modeling of Atomic and Molecular Gases
• HELIOS-K 2.0 Opacity Calculator and Open-source Opacity Database for Exoplanetary Atmospheres
• Partition functions and equilibrium constants for diatomic molecules and atoms of astrophysical interest
• 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
• Spectroscopic line parameters of NO, NO${}_2$, and N${}_2$O for the HITEMP database
• Molecular Cross Sections for High Resolution Spectroscopy of Super Earths, Warm Neptunes and Hot Jupiters
• Radiative cooling functions for primordial molecules
• ExoMol line lists XXVIII: The rovibronic spectrum of AlH
• Radiative lifetimes and cooling functions for astrophysically important molecules
• ExoMol molecular line lists -- XLII: Rovibronic molecular line list for the low-lying states of NO
• Introduction of water-vapor broadening coefficients and their temperature dependence exponents into the HITRAN database, Part I: CO2, N2O, CO, CH4, O2, NH3, and H2S
• Calculation of Electric Quadrupole Linestrengths for Diatomic Molecules: Application to the H2, CO, HF and O2 Molecules
• ExoMol line lists -- XLV. Rovibronic molecular line lists of calcium monohydride (CaH) and magnesium monohydride (MgH)
• ExoMol line lists -- XLI. High-temperature molecular line lists for the alkali metal hydroxides KOH and NaOH
• The Voigt and complex error function: Humlíček's rational approximation generalized
• Radiative Cooling II: Effects of Density and Metallicity
• Cross-sections for heavy atmospheres: H${}_2$O continuum
• AlH lines in the blue spectrum of Proxima Centauri
• Analysis of first overtone bands of isotopologues of CO and SiO in stellar spectra
• Algorithm 985: Simple, efficient, and relatively accurate approximation for the evaluation of the Faddeyeva function
• Data structures for photoabsorption within the ExoMol project
• Radiative cooling of H3O+ and its deuterated isotopologues
• The impact of spectral line wing cut-off: Recommended standard method with application to MAESTRO opacity database
• Computational Aspects of Speed-Dependent Voigt and Rautian Profiles

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