Published November 2013 | Version v1
Journal article

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

  • 1. Groupe de Spectrométrie Moléculaire et Atmosphérique (GSMA), CNRS UMR 7331, Université de Reims Champagne-Ardenne, U.F.R. Sciences Exactes et Naturelles, Moulin de la Housse B.P. 1039, 51687 Reims Cedex 2 (France)
  • 2. Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), CNRS UMR 6303, Université de Bourgogne, 9 avenue A. Savary, BP 47870, 21078 DIJON Cedex (France)
  • 3. Laboratoire de Physique Moléculaire pour l'Atmosphère et l'Astrophysique (LPMAA), CNRS/INP UMR 7092, Université Pierre et Marie Curie, Case 76, 4 Place Jussieu, 75252 Paris Cedex 05 (France)

Description

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 transitions. The relational schemas of ECaSDa and MeCaSDa databases are equivalent and optimised to enable the better compromise between data retrieval and compatibility with the XSAMS (XML Schema for Atoms, Molecules, and Solids) format adopted within the VAMDC European project. -- Highlights: • We present two new spectroscopic databases, MeCaSDa and ECaSDa. • They contain calculated line lists for methane and ethene, respectively. • They collect data from accurate analyses previously preformed. • They are included in the Virtual Atomic and Molecular Data Centre (VAMDC)

Availability note (English)

Available from http://dx.doi.org/10.1016/j.jqsrt.2013.05.001

Additional details

Identifiers

DOI
10.1016/j.jqsrt.2013.05.001;
PII
S0022-4073(13)00193-3;

Publishing Information

Journal Title
Journal of Quantitative Spectroscopy and Radiative Transfer
Journal Volume
130
Journal Page Range
p. 62-68
ISSN
0022-4073
CODEN
JQSRAE

Conference

Title
12. international HITRAN conference
Acronym
HITRAN2012
Dates
29-31 Aug 2012
Place
Reims (France)

Optional Information

Copyright
Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.