Improved H2–He and H2-H2 collision-induced absorption models and application to outer-planet atmospheres

• Using state-of-the-art ab initio interaction-induced dipole and potential-energy surfaces for H 2 –He pairs, we compute the rototranslational collision-induced absorption coefficient at 40-400 K for frequencies covering 0-4000 cm −1 and are expected to be accurate to 2% or better up to 2500 cm −1 . • Previously available rototranslational absorption coefficients for H 2 –H 2 pairs are also extended up to 4000 cm −1 . • Previous isotropic potential calculations for H 2 –He and H 2 –H 2 in the rovibrational band have been extended to complement the rototranslational data. • The absorption coefficients are tabulated for ortho -to- para ratios from normal-H 2 to pure para -H 2 , as well as equilibrium-H 2 , over 40-400 K, with the updates changing brightness temperature difference of a fraction of a degree in the rototranslational region as much as 4 degrees in the rovibrational region. • Our state-of-the-art modifications correct an otherwise +2% error in determining the He/H 2 ratio in Uranus from its spectrum alone. Using state-of-the-art ab initio interaction-induced dipole and potential-energy surfaces for hydrogen–helium (H 2 –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 H 2 –H 2 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 H 2 –He (Gustafsson et al., J. Chem. Phys . 113 , 3641 (2000)) and H 2 –H 2 (Borysow, Icarus 92 , 273 (1992)) have been extended to complement the rototranslational data set. The absorption coefficients are tabulated for ortho -to- para ratios from normal-H 2 to pure para -H 2 , as well as equilibrium-H 2 , 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 2 ratio in Uranus from its spectrum alone.

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Publication Details

Journal
Journal of Quantitative Spectroscopy and Radiative Transfer
Published
2025-08-15
DOI
https://doi.org/10.1016/j.jqsrt.2025.109634
Primary Topic
Atmospheric Ozone and Climate
Type
article
Field-Weighted Citation Impact
0.00

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article

Improved H2–He and H2-H2 collision-induced absorption models and application to outer-planet atmospheres

Glenn S. Orton, Leigh N. Fletcher, James Sinclair, Magnus Gustafsson et al.
Journal of Quantitative Spectroscopy and Radiative Transfer
Atmospheric Ozone and Climate
article

Improved H2–He and H2-H2 collision-induced absorption models and application to outer-planet atmospheres

Glenn S. Orton, Leigh N. Fletcher, James Sinclair, Magnus Gustafsson, Michael T. Roman
article en

Abstract

• Using state-of-the-art ab initio interaction-induced dipole and potential-energy surfaces for H 2 –He pairs, we compute the rototranslational collision-induced absorption coefficient at 40-400 K for frequencies covering 0-4000 cm −1 and are expected to be accurate to 2% or better up to 2500 cm −1 . • Previously available rototranslational absorption coefficients for H 2 –H 2 pairs are also extended up to 4000 cm −1 . • Previous isotropic potential calculations for H 2 –He and H 2 –H 2 in the rovibrational band have been extended to complement the rototranslational data. • The absorption coefficients are tabulated for ortho -to- para ratios from normal-H 2 to pure para -H 2 , as well as equilibrium-H 2 , over 40-400 K, with the updates changing brightness temperature difference of a fraction of a degree in the rototranslational region as much as 4 degrees in the rovibrational region. • Our state-of-the-art modifications correct an otherwise +2% error in determining the He/H 2 ratio in Uranus from its spectrum alone. Using state-of-the-art ab initio interaction-induced dipole and potential-energy surfaces for hydrogen–helium (H 2 –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 H 2 –H 2 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 H 2 –He (Gustafsson et al., J. Chem. Phys . 113 , 3641 (2000)) and H 2 –H 2 (Borysow, Icarus 92 , 273 (1992)) have been extended to complement the rototranslational data set. The absorption coefficients are tabulated for ortho -to- para ratios from normal-H 2 to pure para -H 2 , as well as equilibrium-H 2 , 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 2 ratio in Uranus from its spectrum alone.

Journal of Quantitative Spectroscopy and Radiative TransferVol. 347
Jet Propulsion Laboratory (US), University of Leicester (GB), Luleå University of Technology (SE), Adolfo Ibáñez University (CL)
Knut och Alice Wallenbergs Stiftelse, Science and Technology Facilities Council
Climate action
Openalex Percentile: Top 73%
Atmospheric Ozone and Climate
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