2017ApJ...847..105R -
Astrophys. J., 847, 105-105 (2017/October-1)
Accurate theoretical methane line lists in the infrared up to 3000 K and quasi-continuum absorption/emission modeling for astrophysical applications.
REY M., NIKITIN A.V. and TYUTEREV V.G.
Abstract (from CDS):
Modeling atmospheres of hot exoplanets and brown dwarfs requires high-T databases that include methane as the major hydrocarbon. We report a complete theoretical line list of
12CH
4 in the infrared range 0-13,400 cm
–1 up to T
max = 3000 K computed via a full quantum-mechanical method from ab initio potential energy and dipole moment surfaces. Over 150 billion transitions were generated with the lower rovibrational energy cutoff 33,000 cm
–1 and intensity cutoff down to 10
–33 cm/molecule to ensure convergent opacity predictions. Empirical corrections for 3.7 million of the strongest transitions permitted line position accuracies of 0.001-0.01 cm
–1. Full data are partitioned into two sets. "Light lists" contain strong and medium transitions necessary for an accurate description of sharp features in absorption/emission spectra. For a fast and efficient modeling of quasi-continuum cross sections, billions of tiny lines are compressed in "super-line" libraries according to Rey et al. These combined data will be freely accessible via the TheoReTS information system (
http://theorets.univ-reims.fr,
http://theorets.tsu.ru), which provides a user-friendly interface for simulations of absorption coefficients, cross-sectional transmittance, and radiance. Comparisons with cold, room, and high-T experimental data show that the data reported here represent the first global theoretical methane lists suitable for high-resolution astrophysical applications.
Abstract Copyright:
© 2017. The American Astronomical Society. All rights reserved.
Journal keyword(s):
astronomical databases: miscellaneous - infrared: general - molecular data - molecular data
Simbad objects:
4
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