Glenn S. Orton , Magnus Gustafsson , Leigh N. Fletcher , Michael T. Roman , James A. Sinclair
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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":"{\"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. 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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. 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引用次数: 0
摘要
利用最先进的从头算相互作用诱导的偶极子和氢氦(H2-He)对的势能面,我们计算了40-400 K频率范围内0-4000 cm−1的旋转平移碰撞诱导吸收系数。量子力学散射计算完全考虑了各向异性相互作用势,取代了各向同性近似。预计吸收数据准确,不确定度为2%或更好,可达2500 cm−1。在旋转平移吸收很大程度上被旋转振动带掩盖的最高频率处,不确定度略高。我们与200-800 cm−1测量结果的改进一致性是由于势能面的改进。先前可用的H2-H2对的旋转平移数据集(Fletcher等人,Astrophys。J. Supp. 235,24(2018))也扩展到4000 cm−1。Gustafsson et al., J. Chem.等。Phys. 113, 3641(2000))和H2-H2 (Borysow, Icarus 92,273(1992))已经扩展,以补充旋转平移数据集。在40- 400k范围内,从正态h2到纯对态h2以及平衡态h2的正对对位比的吸收系数被制成表格。这些更新对天王星的冷大气和木星的热大气的影响进行了模拟。它们在旋转平移区相当于亮度温度差的几分之一度,但在旋转振动区高达4度。我们最先进的修正修正了仅从天王星光谱中确定He/H2比时的+2%的误差。
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 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.