New beyond-Voigt line-shape profile recommended for the HITRAN database
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Bibliographic record
Abstract
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).
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Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
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Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
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