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2018MNRAS.480.3397Y - Mon. Not. R. Astron. Soc., 480, 3397-3411 (2018/November-1)

ExoMol line lists XXXI: spectroscopy of lowest eights electronic states of C2.


Abstract (from CDS):

Accurate line lists for the carbon dimer, C2, are presented. These line lists cover rovibronic transitions between the eight lowest electronic states: X 1Σg+, a 3Πu, A 1Πu, b 3Σg, c 3Σu+, d 3Πg, B 1Δg, and B1Σg+. Potential energy curves (PECs) and transition dipole moment curves are computed on a large grid of geometries using the aug-cc-pwCVQZ-DK/MRCI level of theory including core and core-valence correlations and scalar relativistic energy corrections. The same level of theory is used to compute spin-orbit and electronic angular momentum couplings. The PECs and couplings are refined by fitting to the empirical (MARVEL) energies of 12C2 using the nuclear-motion program DUO. The transition dipole moment curves are represented as analytical functions to reduce the numerical noise when computing transition line strengths. Partition functions, full line lists, Lande-factors, and lifetimes for three main isotopologues of C2 (12C2, 13C2, and 12C13C) are made available in electronic form from the CDS ( and ExoMol ( data bases.

Abstract Copyright: © The Author(s) 2018. Published by Oxford University Press on behalf of The Royal Astronomical Society.

Journal keyword(s): molecular data - opacity - astronomical data bases: miscellaneous - planets and satellites: atmospheres - stars: low-mass

VizieR on-line data: <Available at CDS (J/MNRAS/480/3397): t12c13c.dat t12c2.dat t13c2.dat s12c13c.dat s12c2.dat s13c2.dat p12c13c.dat p12c2.dat p13c2.dat>

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