The STDS Dijon system : Present status and prospects.

6533b839fe1ef96bd12a6214

RESEARCH PRODUCT

The STDS Dijon system : Present status and prospects.

Christian Wenger Vincent Boudon Jean-paul Champion

subject

[PHYS.PHYS.PHYS-AO-PH]Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph][ PHYS.PHYS.PHYS-AO-PH ] Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]Computational spectroscopy methane spectroscopic database [PHYS.PHYS.PHYS-AO-PH] Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]

description

The Dijon spectroscopy group has developed powerful techniques based on group theory and tensorial formalism in order to analyze and simulate absorption and Raman spectra of molecules with various symmetries. Software packages and databases implementing these tools have been created [1]. Compared to the widely used spectroscopic databases (HITRAN, GEISA), these packages, with their XTDS common interface [2], are primarily devoted to the calculation of line parameters and spectra from a database of model parameters. Future developments include improved fitting algorithms, inclusion of C3v symmetric tops, rovibronic couplings, uncertainty estimates. Moreover, calculated line lists will be accessible from the VAMDC system. References 1. http://www.icb.cnrs.fr/OMR/SMA/SHTDS/ 2. Ch. Wenger, V. Boudon, M. Rotger, M. Sanzharov, J.-P. Champion, Journal of Molecular Spectroscopy 251, 102–113 (2008)

year	journal	country	edition	language
2009-07-05

https://hal.archives-ouvertes.fr/hal-00405096

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