ExoMol line lists XXXI: Spectroscopy of lowest eights electronic states of C${}_2$

Abstract

Accurate line lists for the carbon dimer, C${}_2$, are presented. These line lists cover rovibronic transitions between the eight lowest electronic states: $X{}^1{\Sigma }_g^{+}$, $a{}^3{\Pi }_u$, $A{}^1{\Pi }_u$, $b{}^3{\Sigma }_g^{-}$, $b{}^3{\Sigma }_g^{-}$, $c{}^3{\Sigma }_u^{+}$, $d{}^3{\Pi }_g$, $B{}^1{\Delta }_g$, $B^{\prime }{}^1{\Sigma }_g^{+}$. 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 ${}^{12}$C${}_2$ 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, Landé-factors and lifetimes for three main isotopologues of C${}_2$ (${}^{12}$C${}_2$,${}^{13}$C${}_2$ and ${}^{12}$C${}^{13}$C) are made available in electronic form from the CDS (http://cdsarc.u-strasbg.fr) and ExoMol (www.exomol.com) databases.

References in corpus (10)

• ExoMol line lists XVIII. The high temperature spectrum of VO
• Abundances and Behavior of 12CO, 13CO, and C2 in Translucent Sight Lines
• ExoMol molecular line lists: IX The spectrum of AlO
• ExoMol molecular line lists - XXIII: spectra of PO and PS
• ExoMol line lists XXIV: A new hot line list for silicon monohydride, SiH
• ExoMol Line List XXI: Nitric Oxide (NO)
• The calculated rovibronic spectrum of scandium hydride, ScH
• Hybrid variation-perturbation method for calculating rovibrational energy levels of polyatomic molecules
• C_2 in Peculiar DQ White Dwarfs
• NSCC -- A New Scheme of Classification of C-rich Stars Devised from Optical and Infrared Observations

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