University of Illinois Urbana-Champaign

Accuracy and completeness of molecular line lists

Polyansky, Oleg

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2512.pdf
921904.pptx

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

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
Date of Ingest
  • 2017-07-27T20:15:13Z
  • 2018-01-29T23:03:28Z
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
Genre of Resource
Conference Paper / Presentation
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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Abstracts & Presentations - 2017 International Symposium on Molecular Spectroscopy PRIMARY