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Reassessment of ammonia self- and air-broadened half-widths for the HITRAN database

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Abstract

Accurate NH3 pressure-broadening parameters are required for reliable line-by-line simulations in a multitude of applications including atmospheric sensing, combustion diagnostics, and planetary/exoplanet applications. Current HITRAN NH3 self- and air-broadened half-widths are largely based on the Nemtchinov rotational correlation and subsequent database rules that clamp or assign default values outside the validated range. This treatment avoids nonphysical extrapolation but suppresses the measured rotational dependence, especially for high- J ′′ transitions. In this work, published laboratory measurements of NH3 self- and air-broadened Lorentz half-widths were compiled and reassessed to develop updated empirical correlations for HITRAN. The collected dataset contains 1317 self-broadened and 1231 air-broadened half-widths at, or reduced to, 296 K, spanning multiple vibrational bands, branches, and rotational quantum numbers. The analysis confirms that the dominant dependence of the linewidths is rotational, rather than branch-, band-, or vibration-inversion-specific. Constrained third-degree polynomial correlations were fitted for γself and γair as functions of the branch-dependent rotational index m and K ′′. The regression was weighted by reported measurement uncertainties and constrained to remain positive over the intended HITRAN rotational domain. The new fit reduces the air-broadening mean absolute percentage error (MAPE) from 10.95% for HITRAN2024 to 6.80%. For self broadening, the MAPE decreases from 23.61% for HITRAN2024 to 10.89%. Spectrum-level comparisons with PNNL-database spectra and pure-NH3 measurements show that the updated coefficients improve simulated absorption profiles for both foreign-gas and self-broadened conditions. These results provide a physically constrained, database-ready replacement for the current HITRAN NH3 self- and air-broadening treatment.

Original languageEnglish
Article number110141
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume365
DOIs
StatePublished - Dec 2026

Bibliographical note

Publisher Copyright:
© 2026 Elsevier Ltd.

Keywords

  • Ammonia (NH) broadening
  • Empirical correlation
  • HITRAN
  • Line-by-line
  • Self- and air-broadening

ASJC Scopus subject areas

  • Radiation
  • Atomic and Molecular Physics, and Optics
  • Spectroscopy

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