Accuracy and completeness of molecular line lists

Polyansky, Oleg

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https://hdl.handle.net/2142/96909 Copy

Description

Title

Accuracy and completeness of molecular line lists

Author(s)

Polyansky, Oleg

Contributor(s)

Tennyson, Jonathan

Issue Date

2017-06-20

Keyword(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_

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/96909

DOI

https://doi.org/10.15278/isms.2017.TJ01

Copyright and License Information

Copyright 2017 Oleg Polyansky

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