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Comprehensive vibrational analysis of CO2 based on a polyad-preserving model

  • Marisol Bermudez-Montaña
  • Renato Lemus
  • Francisco Pérez-Bernal
  • Miguel CarvajalEmail author
Regular Article
Part of the following topical collections:
  1. Topical Issue: Dynamics of Molecular Systems (MOLEC 2016)

Abstract

We present a polyad-preserving algebraic approach to molecular structure and, as an application, we fit the model parameters to reproduce an extensive experimental data set of vibrational energies of carbon dioxide in its ground electronic state. The data set includes levels with vibrational angular momentum = 1,...,6 and some recently obtained term values that have not been previously considered. The obtained results are close to experimental uncertainty and we compare the results obtained making use of the three most common polyad schemes that can be found in the literature for this molecular species.

Graphical abstract

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Copyright information

© EDP Sciences, SIF, Springer-Verlag GmbH Germany 2017

Authors and Affiliations

  1. 1.Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de MéxicoMéxicoMexico
  2. 2.Dpto. Ciencias Integradas, Universidad de HuelvaHuelvaSpain
  3. 3.Instituto Universitario “Carlos I” de Física Teórica y Computacional, Universidad de GranadaGranadaSpain

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