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Title:ACCURACY and COMPLETENESS of MOLECULAR LINE LISTS
Author(s):Polyansky, Oleg
Contributor(s):Tennyson, Jonathan
Subject(s):Linelists
Abstract:We review recent progress in the calculation of the global,_x000d_ high-temperature and accurate room-temperature linelists of various_x000d_ molecules relevant for the analysis of both Earth and exoplanet_x000d_ atmospheres and cool stars. These global line lists can be constructed_x000d_ based on progress in calculation of energy levels up to dissociation_x000d_ and the fitting of the molecular PESs to the experimental data close_x000d_ to dissociation. Sub-percent accuracy in the intensity of calculated_x000d_ absorption lines is achieved thanks to progress in textit{ab initio}_x000d_ electronic structure calculations which is aided by the possibility of_x000d_ characterizing their accuracy by the comparison with experimental_x000d_ intensities measured with sub-percent accuracy for some molecular_x000d_ lines. The advantage of variational calculations over experiment_x000d_ though is the ability to produce billions of lines covering all the_x000d_ isotopologues, which is clearly impossible for the experimental_x000d_ observations. Atmospherically and astrophysically important molecules_x000d_ such as chem{H_2O}, chem{CO_2}, chem{CO} and chem{H_3^+} will be considered together with some_x000d_ examples of the other molecules. _x000d_
Issue Date:6/20/2017
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/96909
DOI:10.15278/isms.2017.TJ01
Date Available in IDEALS:2017-07-27


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