Spectroscopic factors Influencing on the Atmospheric Radiative Transfer Modeling for the Methane Total Amount Retrieval

MeCaSDa and ECaSDa: Methane and ethene calculated spectroscopic databases for the virtual atomic and molecular data centre

Abstract Two spectroscopic relational databases, denoted MeCaSDa and ECaSDa, have been implemented for methane and ethene, and included in VAMDC (Virtual Atomic and Molecular Data Centre, http://portal.vamdc.eu/vamdc_portal/home.seam ). These databases collect calculated spectroscopic data from the accurate analyses previously performed for the electronic ground state of methane, ethene, and some of their isotopologues: 12CH4, 13CH4, and 12C2H4. Both infrared absorption and Raman scattering lines are included. The polyad structures are reported and the transitions are precisely described by their energy, their intensity and the full description of the lower and upper states involved in the …

Etat de l'Art des Analyses Raie par Raie des Spectres du Méthane

Error propagation from line parameters to spectra simulations. Illustration on high temperature methane.

Astrophysical investigations generally need both complete and accurate spectroscopic databases. Despite continuous efforts in experimental and theoretical spectroscopic investigations, the lack of data in some spectral regions of interest is one of the main limitation of the presently available spectroscopic databases. Unfortunately information about missing data relevant to specific experimental conditions is rarely directly accessible from spectroscopic databases (focusing naturally on available data). Such information relies essentially on theoretical investigations which are equally limited to the present state of the art of modelling. The purpose of the talk is to show how multi-resolu…

Modélisation et Base de Données du Spectre Infrarouge de l'Ethylène

XTDS and SPVIEW: Graphical tools for the analysis and simulation of high-resolution molecular spectra

International audience; XTDS is a Java front-end to the different programs implementing the tensorial formalism developed in the Dijon group [see for instance: V. Boudon, J.-P. Champion, T. Gabard, M. Loëte, F. Michelot, G. Pierre, M. Rotger, Ch. Wenger, M. Rey, J. Mol. Spectrosc. 228 (2004) 620–634 ]. It allows the simulation and analysis of polyad systems for molecules of various symmetries (Td and Oh spherical tops like CH4 and SF6, C2v and C4v quasi-spherical tops like SO2F2 and SF5Cl, D2h molecules like C2H4). SPVIEW is a multiplatform Java application that allows graphical assignment of high-resolution molecular spectra. It is possible to load, display and manipulate experimental and …

Fonction de partition du methane à haute température

A methane data base for VAMDC

International audience

Spherical Top Theory and Molecular Spectra

In this article, we present an overview of the present state of the art of the theory of high-resolution spherical-top spectra in the framework of the effective Hamiltonian approach. We describe the specific features of this class of molecules to explain the basic concepts of the theoretical methods used for the analysis (line positions and intensities) and the simulation of absorption (including pure rotation) and Raman spectra of such species. The non conventional formalism that we use is essentially based on irreducible tensor methods and is especially adapted to computational treatments and global analyses of complex interacting band systems. We give examples concerning mainly methane (…

VAMDC: Databases of Calculated Spectral Lines of Ethylene and Methane

High-Resolution Spectroscopy and Global Analysis of the Tetradecad Region of Methane 12CH4