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

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Titel: PyExoCross: a Python program for generating spectra and cross-sections from molecular line lists.
Autoren: Zhang, Jingxin, Tennyson, Jonathan, Yurchenko, Sergei N
Quelle: RAS Techniques & Instruments; 2024, Vol. 3 Issue 1, p257-287, 31p
Schlagwörter: PYTHON programming language, OSCILLATOR strengths, MOLECULAR spectroscopy, SPECTRAL lines, ELECTRONIC data processing, POWER spectra
Abstract: PyExoCross is a Python adaptation of the ExoCross Fortran application, PyExoCross is designed for post-processing the huge molecular line lists generated by the ExoMol project and other similar initiatives such as the HITRAN and HITEMP data bases. 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 data base. [ABSTRACT FROM AUTHOR]
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Datenbank: Complementary Index
Beschreibung
Abstract:PyExoCross is a Python adaptation of the ExoCross Fortran application, PyExoCross is designed for post-processing the huge molecular line lists generated by the ExoMol project and other similar initiatives such as the HITRAN and HITEMP data bases. 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 data base. [ABSTRACT FROM AUTHOR]
ISSN:27528200
DOI:10.1093/rasti/rzae016