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, 27Al16O, as well as for 27Al17O, 27Al18O and 26Al16O. 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 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 ab initio dipolemoment curve is calculated using quadruple zeta basis set and the multireference configuration interaction method. Partition functions plus full line lists of transitions are made available in an electronic form as supplementary data to this paper and at www.exomol.com.