期刊
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
卷 440, 期 2, 页码 1649-1661出版社
OXFORD UNIV PRESS
DOI: 10.1093/mnras/stu326
关键词
molecular data; opacity; astronomical data bases: miscellaneous; planets and satellites: atmospheres; stars: low-mass
资金
- STFC
- ERC [267219]
- BIS
- Science and Technology Facilities Council [ST/K00333X/1, ST/J005673/1, ST/H008586/1, ST/J001511/1] Funding Source: researchfish
- STFC [ST/J005673/1, ST/H008586/1, ST/J001511/1, ST/K00333X/1] Funding Source: UKRI
A new hot line list is calculated for (CH4)-C-12 in its ground electronic state. This line list, called 10to10, contains 9.8 billion transitions and should be complete for temperatures up to 1500 K. It covers the wavelengths longer than 1 mu m and includes all transitions to upper states with energies below hc center dot 18 000 cm(-1) and rotational excitation up to J = 39. The line list is computed using the eigenvalues and eigenfunctions of CH4 obtained by variational solution of the Schrodinger equation for the rotation-vibration motion of nuclei employing program trove and a new 'spectroscopic' potential energy surface (PES) obtained by refining an ab initio PES (CCSD(T)-F12c/aug-cc-pVQZ) through least-squares fitting to the experimentally derived energies with J = 0-4 and a previously reported ab initio dipole moment surface (CCSD(T)-F12c/aug-cc-pVTZ). Detailed comparisons with other available sources of methane transitions including HITRAN, experimental compilations and other theoretical line lists show that these sources lack transitions both higher temperatures and near-infrared wavelengths. The 10to10 line list is suitable for modelling atmospheres of cool stars and exoplanets. It is available from the CDS data base as well as at www.exomol.com.
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