Barton, EJ; Yurchenko, SN; Tennyson, J; (2013) ExoMol line lists - II. The ro-vibrational spectrum of SiO. Monthly Notices of the Royal Astronomical Society , 434 (2) 1469 - 1475. 10.1093/mnras/stt1105.

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Abstract

Accurate rotational–vibrational line lists are calculated for silicon monoxide. Line lists are presented for the main isotopologue, 28Si16O, and for four monosubstituted isotopologues (29Si16O, 30Si16O, 28Si18O and 28Si17O), 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 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 ab initio dipole moment curve is calculated at the large basis set, multireference configuration interaction level. A partition function plus full line lists of rotational–vibrational transitions are made available in an electronic form as Supplementary Information to this article and at www.exomol.com.

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