New beyond-Voigt line-shape profile recommended for the HITRAN database

Fuente: arXiv

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Detalles Bibliográficos
Autores principales:	Wcisło, P., Stolarczyk, N., Słowiński, M., Jóźwiak, H., Lisak, D., Ciuryło, R., Cygan, A., Schreier, F., Boone, C. D., Castrillo, A., Gianfrani, L., Tan, Y., Hu, S-M., Adkins, E., Hodges, J. T., Tran, H., Ngo, H. N., Hartmann, J. -M., Beguier, S., Campargue, A., Hargreaves, R. J., Rothman, L. S., Gordon, I. E.
Formato:	Preprint
Publicado:	2025
Materias:	Atomic Physics Instrumentation and Methods for Astrophysics Chemical Physics
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

_version_	1866908286832345088
author	Wcisło, P. Stolarczyk, N. Słowiński, M. Jóźwiak, H. Lisak, D. Ciuryło, R. Cygan, A. Schreier, F. Boone, C. D. Castrillo, A. Gianfrani, L. Tan, Y. Hu, S-M. Adkins, E. Hodges, J. T. Tran, H. Ngo, H. N. Hartmann, J. -M. Beguier, S. Campargue, A. Hargreaves, R. J. Rothman, L. S. Gordon, I. E.
author_facet	Wcisło, P. Stolarczyk, N. Słowiński, M. Jóźwiak, H. Lisak, D. Ciuryło, R. Cygan, A. Schreier, F. Boone, C. D. Castrillo, A. Gianfrani, L. Tan, Y. Hu, S-M. Adkins, E. Hodges, J. T. Tran, H. Ngo, H. N. Hartmann, J. -M. Beguier, S. Campargue, A. Hargreaves, R. J. Rothman, L. S. Gordon, I. E.
contents	Parameters associated with the collisional perturbation of spectral lines are essential for modeling the absorption of electromagnetic radiation in gas media. The HITRAN molecular spectroscopic database provides these parameters, although originally they were associated only with the Voigt profile parameterization. However, in the HITRAN2016 and HITRAN2020 editions, Voigt, speed-dependent Voigt and Hartmann-Tran (HT) profiles have been incorporated, thanks to the new relational structure of the database. The HT profile was introduced in HITRAN in 2016 as a recommended profile for the most accurate spectral interpretations and modeling. It was parameterized with a four-temperature-range temperature dependence. Since then, however, some features of the HT profile have been revealed that are problematic from a practical perspective. These are: the singular behavior of the temperature dependencies of the velocity-changing parameters when the shift parameter crosses zero and the difficulty in evaluating the former for mixtures. In this article, we summarize efforts to eliminate the above-mentioned problems that led us to recommend using the quadratic speed-dependent hard-collision (qSDHC) profile with double-power-law (DPL) temperature dependencies. We refer to this profile as a modified Hartmann-Tran (mHT) profile. The computational cost of evaluating it is the same as for the HT profile. We give a detailed description of the mHT profile (also including line mixing) and discuss the representation of its parameters, together with their DPL temperature parametrization adopted in the HITRAN database. We discuss an efficient algorithm for evaluating this profile and provide corresponding computer codes in several programming languages: Fortran, Python, MATLAB, Wolfram Mathematica, and LabVIEW. We also discuss the associated update of the HITRAN Application Programming Interface (HAPI).
format	Preprint
id	arxiv_https___arxiv_org_abs_2503_21430
institution	arXiv
publishDate	2025
record_format	arxiv
spellingShingle	New beyond-Voigt line-shape profile recommended for the HITRAN database Wcisło, P. Stolarczyk, N. Słowiński, M. Jóźwiak, H. Lisak, D. Ciuryło, R. Cygan, A. Schreier, F. Boone, C. D. Castrillo, A. Gianfrani, L. Tan, Y. Hu, S-M. Adkins, E. Hodges, J. T. Tran, H. Ngo, H. N. Hartmann, J. -M. Beguier, S. Campargue, A. Hargreaves, R. J. Rothman, L. S. Gordon, I. E. Atomic Physics Instrumentation and Methods for Astrophysics Chemical Physics Parameters associated with the collisional perturbation of spectral lines are essential for modeling the absorption of electromagnetic radiation in gas media. The HITRAN molecular spectroscopic database provides these parameters, although originally they were associated only with the Voigt profile parameterization. However, in the HITRAN2016 and HITRAN2020 editions, Voigt, speed-dependent Voigt and Hartmann-Tran (HT) profiles have been incorporated, thanks to the new relational structure of the database. The HT profile was introduced in HITRAN in 2016 as a recommended profile for the most accurate spectral interpretations and modeling. It was parameterized with a four-temperature-range temperature dependence. Since then, however, some features of the HT profile have been revealed that are problematic from a practical perspective. These are: the singular behavior of the temperature dependencies of the velocity-changing parameters when the shift parameter crosses zero and the difficulty in evaluating the former for mixtures. In this article, we summarize efforts to eliminate the above-mentioned problems that led us to recommend using the quadratic speed-dependent hard-collision (qSDHC) profile with double-power-law (DPL) temperature dependencies. We refer to this profile as a modified Hartmann-Tran (mHT) profile. The computational cost of evaluating it is the same as for the HT profile. We give a detailed description of the mHT profile (also including line mixing) and discuss the representation of its parameters, together with their DPL temperature parametrization adopted in the HITRAN database. We discuss an efficient algorithm for evaluating this profile and provide corresponding computer codes in several programming languages: Fortran, Python, MATLAB, Wolfram Mathematica, and LabVIEW. We also discuss the associated update of the HITRAN Application Programming Interface (HAPI).
title	New beyond-Voigt line-shape profile recommended for the HITRAN database
topic	Atomic Physics Instrumentation and Methods for Astrophysics Chemical Physics
url	https://arxiv.org/abs/2503.21430