ExoMol line lists XXXI: Spectroscopy of lowest eights electronic states of C$_2$. (arXiv:1812.07116v1 [astro-ph.SR])
<a href="http://arxiv.org/find/astro-ph/1/au:+Yurchenko_S/0/1/0/all/0/1">Sergei N. Yurchenko</a>, <a href="http://arxiv.org/find/astro-ph/1/au:+Szabo_I/0/1/0/all/0/1">István Szabó</a>, <a href="http://arxiv.org/find/astro-ph/1/au:+Pyatenko_E/0/1/0/all/0/1">Elizaveta Pyatenko</a>, <a href="http://arxiv.org/find/astro-ph/1/au:+Tennyson_J/0/1/0/all/0/1">Jonathan Tennyson</a>
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, Land'{e}-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
(this http URL) and ExoMol (www.exomol.com) databases.
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, Land'{e}-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
(this http URL) and ExoMol (www.exomol.com) databases.
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