Wednesday, July 10, 2013

1307.2300 (Emma J. Barton et al.)

ExoMol line lists II: The ro-vibrational spectrum of SiO    [PDF]

Emma J. Barton, Sergei N. Yurchenko, Jonathan Tennyson
Accurate rotation-vibration line lists are calculated for silicon monoxide. Line lists are presented for the main isotopologue, $^{28}$Si$^{16}$O, and for four monosubsituted isotopologues ($^{29}$Si$^{16}$O, $^{30}$Si$^{16}$O, $^{28}$Si$^{18}$O and $^{28}$Si$^{17}$O), in their ground electronic states. These line lists are suitable for high temperatures (up to 9000 K) including those relevant to exoplanetary atmospheres and cool stars. A combination of empirical and \textit{ab initio} methods is used: the potential energy curves are determined to high accuracy by fitting to extensive data from the analysis of both laboratory and sunspot spectra; a high quality {\it ab initio} dipole moment curve is calculated at the large basis set, multi-reference configuration interaction level. A partition function plus full line lists of rotation-vibration transitions are made available in an electronic form as supplementary data to this article and at \url{}.
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