Glenn S. Orton , Magnus Gustafsson , Leigh N. Fletcher , Michael T. Roman , James A. Sinclair
{"title":"Improved H2–He and H2-H2 collision-induced absorption models and application to outer-planet atmospheres","authors":"Glenn S. Orton , Magnus Gustafsson , Leigh N. Fletcher , Michael T. Roman , James A. Sinclair","doi":"10.1016/j.jqsrt.2025.109634","DOIUrl":null,"url":null,"abstract":"<div><div>Using state-of-the-art <em>ab initio</em> interaction-induced dipole and potential-energy surfaces for hydrogen–helium (H<sub>2</sub>–He) pairs, we compute the rototranslational collision-induced absorption coefficient at 40-400 K for frequencies covering 0-4000 cm<sup>−1</sup>. The quantum mechanical scattering calculations account for the full anisotropic interaction potential, replacing the isotropic approximation. The absorption data are expected to be accurate with an uncertainty of 2% or better up to 2500 cm<sup>−1</sup>. The uncertainty is slightly higher at the highest frequencies where the rototranslational absorption is largely obscured by the rovibrational band. Our improved agreement with measurements at 200-800 cm<sup>−1</sup> result from the improvement of the potential energy surface. The previously available rototranslational data set for H<sub>2</sub>–H<sub>2</sub> pairs (Fletcher et al., <em>Astrophys. J. Supp</em>. <strong>235</strong>, 24 (2018)) is also extended up to 4000 cm<sup>−1</sup>. In the rovibrational band previous isotropic potential calculations for H<sub>2</sub>–He (Gustafsson et al., <em>J. Chem. Phys</em>. <strong>113</strong>, 3641 (2000)) and H<sub>2</sub>–H<sub>2</sub> (Borysow, <em>Icarus</em> <strong>92</strong>, 273 (1992)) have been extended to complement the rototranslational data set. The absorption coefficients are tabulated for <em>ortho</em>-to-<em>para</em> ratios from normal-H<sub>2</sub> to pure <em>para</em>-H<sub>2</sub>, as well as equilibrium-H<sub>2</sub>, over 40-400 K . The effect of these updates are simulated for the cold atmosphere of Uranus and warmer atmosphere of Jupiter. They are equivalent to a brightness temperature difference of a fraction of a degree in the rototranslational region but up to 4 degrees in the rovibrational region. Our state-of-the-art modifications correct an otherwise +2% error in determining the He/H<sub>2</sub> ratio in Uranus from its spectrum alone.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"347 ","pages":"Article 109634"},"PeriodicalIF":1.9000,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Quantitative Spectroscopy & Radiative Transfer","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022407325002961","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"OPTICS","Score":null,"Total":0}
引用次数: 0
Abstract
Using state-of-the-art ab initio interaction-induced dipole and potential-energy surfaces for hydrogen–helium (H2–He) pairs, we compute the rototranslational collision-induced absorption coefficient at 40-400 K for frequencies covering 0-4000 cm−1. The quantum mechanical scattering calculations account for the full anisotropic interaction potential, replacing the isotropic approximation. The absorption data are expected to be accurate with an uncertainty of 2% or better up to 2500 cm−1. The uncertainty is slightly higher at the highest frequencies where the rototranslational absorption is largely obscured by the rovibrational band. Our improved agreement with measurements at 200-800 cm−1 result from the improvement of the potential energy surface. The previously available rototranslational data set for H2–H2 pairs (Fletcher et al., Astrophys. J. Supp. 235, 24 (2018)) is also extended up to 4000 cm−1. In the rovibrational band previous isotropic potential calculations for H2–He (Gustafsson et al., J. Chem. Phys. 113, 3641 (2000)) and H2–H2 (Borysow, Icarus92, 273 (1992)) have been extended to complement the rototranslational data set. The absorption coefficients are tabulated for ortho-to-para ratios from normal-H2 to pure para-H2, as well as equilibrium-H2, over 40-400 K . The effect of these updates are simulated for the cold atmosphere of Uranus and warmer atmosphere of Jupiter. They are equivalent to a brightness temperature difference of a fraction of a degree in the rototranslational region but up to 4 degrees in the rovibrational region. Our state-of-the-art modifications correct an otherwise +2% error in determining the He/H2 ratio in Uranus from its spectrum alone.
期刊介绍:
Papers with the following subject areas are suitable for publication in the Journal of Quantitative Spectroscopy and Radiative Transfer:
- Theoretical and experimental aspects of the spectra of atoms, molecules, ions, and plasmas.
- Spectral lineshape studies including models and computational algorithms.
- Atmospheric spectroscopy.
- Theoretical and experimental aspects of light scattering.
- Application of light scattering in particle characterization and remote sensing.
- Application of light scattering in biological sciences and medicine.
- Radiative transfer in absorbing, emitting, and scattering media.
- Radiative transfer in stochastic media.