ExoMol molecular line lists XII: Line Lists for 8 isotopologues of CS

preprint2015arXivOpen access

Abstract

Comprehensive vibration-rotation line lists for eight isotopologues of carbon monosulphide (CS) (12^{12}C32^{32}S, 12^{12}C33^{33}S, 12^{12}C34^{34}S, 12^{12}C36^{36}S, 13^{13}C32^{32}S, 13^{13}C33^{33}S, 13^{13}C34^{34}S, 13^{13}C36^{36}S) in their ground electronic states are calculated. These line lists are suitable for temperatures up to 3000 K. A spectroscopically-determined potential energy curve (PEC) and dipole moment curve (DMC) are taken from literature. This PEC is adapted to suit our method prior to the computation of ro-vibrational energies. The calculated energies are then substituted by experimental energies, where available, to improve the accuracy of the line lists. The {\it ab initio} DMC is used without refinement to generate Einstein A coefficients. Full line lists of vibration-rotation transitions and partition functions are made available in an electronic form as supporting information to this paper and at \url{www.exomol.com}.

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