ExoMol line lists - LXII. Ro-vibrational energy levels and line strengths for the propadienediylidene (C3) in its ground electronic state

被引:0
作者
Lynas-Gray, A. E. [1 ,2 ,3 ]
Polyansky, O. L. [1 ,4 ]
Tennyson, J. [1 ]
Yurchenko, S. N. [1 ]
Zobov, N. F. [4 ]
机构
[1] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England
[2] Univ Oxford, Dept Phys, Keble Rd, Oxford OX1 3RH, England
[3] Univ Western Cape, Dept Phys & Astron, ZA-7535 Bellville, South Africa
[4] Russian Acad Sci, Inst Appl Phys, Ulyanov St 46, Nizhnii Novgorod 603950, Russia
基金
欧洲研究理事会;
关键词
molecular data; opacity; planets and satellites: atmospheres; stars: atmospheres; ISM: molecules; RADIATIVE-TRANSFER; PARTITION-FUNCTION; SPECTROSCOPY; EXOPLANET; SPECTRA; ATMOSPHERES; ABSORPTION; MOLECULES; CHEMISTRY; ABUNDANCE;
D O I
10.1093/mnras/stae2425
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
Improved opacities are needed for modelling the atmospheres and evolution of cool carbon-rich stars and extra-solar planets; in particular, contributions made by the astrophysically important propadienediylidene (C-3) molecule need, at a minimum, to be determined using a line list which includes all significant transitions in the energy range of interest. We report variational calculations giving ro-vibrational energy levels and corresponding line strengths for C-12(3), (CC12)-C-12-C-13 C, and (CCC)-C-12-C-12-C-13. In the C-12(3) case, we obtain 2166 503 ro-vibrational state energies <= 2000 cm(-1) for the electronic (X) over tilde (1) E-g(+) ground state. Comparison with experiment indicates a maximum error of +/- 0.03 cm(-1) in calculated positions of lines involving an upper state energy (sic) 4000 cm(-1). For lines with upper state energies (sic)4000 cm(-1) to have comparable line-position accuracies, conical intersections would need to be accounted for in an adopted potential energy surface. Line lists and associated opacities are provided in the ExoMol data base (http://www.exomol.com).
引用
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页码:1439 / 1448
页数:10
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