Masaq Index
arXiv 2015-04-12 DOI 10.1093/mnras/stv507 0 views

ExoMol molecular line lists: IX The spectrum of AlO

Patrascu, Andrei T. · Yurchenko, Sergei N. · Tennyson, Jonathan

Original · EN

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 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 www.exomol.com.

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