Distributed information system on molecular spectroscopy

A. D. Bykov; A. Z. Fazliev; A. V. Kozodoev; A. I. Privezentsev; L. N. Sinitsa; M. V. Tonkov; N. N. Filippov; M. Yu. Tretyakov

doi:10.1117/12.724944

12 December 2006 Distributed information system on molecular spectroscopy

A. D. Bykov, A. Z. Fazliev, A. V. Kozodoev, A. I. Privezentsev, L. N. Sinitsa, M. V. Tonkov, N. N. Filippov, M. Yu. Tretyakov

Author Affiliations +

Proceedings Volume 6580, 15th Symposium on High-Resolution Molecular Spectroscopy; 65800W (2006) https://doi.org/10.1117/12.724944
Event: 15th Symposium on High-Resolution Molecular Spectroscopy, 2006, Nizhny Novgorod, Russian Federation

Abstract

The urgency of creating the information-computational systems (ICS) on molecular spectroscopy follows from the circumstance that for some molecules the number of calculated energy levels counts hundreds of thousands, and the number of spectral lines sometimes reaches hundreds of millions. Publication of such data volumes in regular journals is inappropriate. Comparison of different calculated spectral characteristics or their comparison with experimental data beyond computer processing is hopeless. We find information systems to be an adequate form for holding such data volumes and a toolkit for handling them. Correct digital data processing requires appropriate sets of metadata arranged in the form of ontology of molecular spectroscopy. Our information system provides the data on spectral line parameters, water molecule energy levels, and absorption coefficients. Within this distributed IS one can solve two types of problems: manipulation with data and calculation of spectral functions. Among the latest experimental data in the IS there are data obtained at the Institute of Applied Physics RAS. To calculate the absorption coefficients for the molecules of carbonic acid gas, we take into consideration spectral line interference.

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A. D. Bykov, A. Z. Fazliev, A. V. Kozodoev, A. I. Privezentsev, L. N. Sinitsa, M. V. Tonkov, N. N. Filippov, and M. Yu. Tretyakov "Distributed information system on molecular spectroscopy", Proc. SPIE 6580, 15th Symposium on High-Resolution Molecular Spectroscopy, 65800W (12 December 2006); https://doi.org/10.1117/12.724944

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