ExoMol molecular line lists: IX The spectrum of AlO

TL;DR

This paper provides comprehensive, high-temperature line lists for aluminium monoxide (AlO), covering multiple isotopologues and electronic states, useful for modeling exoplanetary atmospheres and cool stars.

Contribution

It presents new, accurate line lists for AlO, combining empirical data and ab initio calculations, covering a wide temperature range and multiple isotopologues.

Findings

Line lists cover up to 8000 K temperatures.

Includes multiple isotopologues of AlO.

Data available electronically for modeling applications.

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}.