Showing papers by "Vincent Boudon published in 2003"
TL;DR: In this paper, a detailed method for the symmetrization of the standard O (3) or SU (2)⊗ C I basis | j τ, m 〉 ( τ = g or u ) into the O h or T d point group is proposed.
55 citations
TL;DR: A tensorial formalism adapted to the case of the X2Y4 molecules with D2h symmetry has been developed in the same way as in the previous works on XY4 (Td) and XY6 (Oh) spherical tops and XY5Z (C4v) symmetric tops as mentioned in this paper.
28 citations
TL;DR: In this article, the authors have developed tools for the analysis and simulation of absorption spectra of highly symmetrical molecules, such as CH4, CF4 or SF6, in the infrared domain.
Abstract: Highly symmetrical molecules such as CH4, CF4 or SF6 are known to be atmospheric pollutants and greenhouse gases. High-resolution spectroscopy in the infrared is particularly suitable for the monitoring of gas concentration and radiative transfers in the earth's atmosphere. This technique requires extensive theoretical studies for the modeling of the spectra of such molecules (positions, intensities and shapes of absorption lines). Here, we have developed powerful tools for the analysis and the simulation of absorption spectra of highly symmetrical molecules. These tools have been implemented in the spherical top data system (STDS) and highly-spherical top data system (HTDS) software available at http://www.u-bourgogne.fr/LPUB/shTDS.html. They include a compilation of modeled data obtained during the last 20 years. An overview of our latest results in this domain will be presented.
24 citations
TL;DR: In this article, Sarka et al. developed a tensorial formalism in the O(3)⊃ T d ⊃ C 2 v group chain (M. Rotger, V. Boudon, M. Loete, J. Ruland, E. Margules, I. Merke, N. Heineking, H. Burger, and J. Mol. Spectrosc).
18 citations
TL;DR: In this article, the FTIR spectrum of the ν 2 + ν 4 combination band has been analyzed using the HTDS software (http://www.u-bourgogne.fr/LPUB/shTDS.html ) for XY 6 octahedral molecules.
12 citations
TL;DR: In this paper, two appropriate realizations of the su (4) algebra allow the construction of all electronic operators needed for the study of vibronic and rovibronic interactions in a G ′ electronic state.
4 citations