ExoMol molecular line lists: IX The spectrum of AlO

Abstract

Accurate line lists are calculated for aluminium monoxide covering the pure rotation, rotation-vibration and electronic (B -- X blue-green and A -- X infrared bands) spectrum. Line lists are presented for the main isotopologue, ${}^{27}$Al${}^{16}$O, as well as for ${}^{27}$Al${}^{17}$O, ${}^{27}$Al${}^{18}$O and ${}^{26}$Al${}^{16}$O. These line lists are suitable for high temperatures (up to 8000 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 were previously determined to high accuracy by fitting to extensive data from analysis of laboratory spectra; a high quality {\it ab initio} dipole moment curve is calculated using quadruple zeta basis set and the multi-reference configuration interaction (MRCI) method. Partition functions plus full line lists of transitions are made available in an electronic form as supplementary data to this article and at \url{www.exomol.com}.

8 pages, 7 figures, 6 tables

References in corpus (2)

• ExoMol molecular line lists V: The ro-vibrational spectra of NaCl and KCl
• Exomol molecular line lists VI: A high temperature line list for Phosphorus Nitride

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