Astronomy and Astrophysics – Astronomy
Scientific paper
May 2011
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011iaus..280p.142c&link_type=abstract
The Molecular Universe, Posters from the proceedings of the 280th Symposium of the International Astronomical Union held in Tole
Astronomy and Astrophysics
Astronomy
Scientific paper
Approaches related to graph theory are given which allow a better understanding of and yield routes for systematic enlargement and improvement of experimental spectroscopic line lists of molecules. The protocols are based on the fact that the information in line lists can be related to large-scale, weighted, undirected graphs, whereby the vertices are discrete energy levels, the edges are transitions, and the weights are transition intensities. The resulting graph is what one may call a spectroscopic network (SN). It is shown on the example of the HD16O isotopologue of the water molecule that both its measured and first-principles one-photon absorption SNs have a scale-free behavior with all of the usual consequences, including appearance of hubs, robustness, error tolerance, and the "small-world" property. The graph-theoretical view of molecular spectra offers several new ideas for improving the accuracy and robustness of the information systems containing high-resolution spectroscopic data.
Csaszar A. G.
Furtenbacher T.
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