title: Extension of the non-Markovian Energy-Corrected Sudden model to the case of parallel and perpendicular infrared bands.
abstract: The non-Markovian Energy-Corrected Sudden approach [J. Buldyreva and L. Bonamy, Phys. Rev. A 60, 370 (1999)] previously developed for wide-band rototranslational Raman spectra of linear rotors is extended to the case of infrared absorption by linear molecules with stretching and bending modes. Basic relations such as detailed balance and double-sided sum rules for the rotational relaxation matrix are easily satisfied owing to the specific choice of a symmetric metric in the Liouville space. A single set of model parameters deduced from experimental widths of isolated isotropic Raman lines enables calculations of line-shape characteristics and full spectra up to the far wings. Applications to the important but quite complex example of pure carbon dioxide indicate the crucial role of the frequency dependence in the relaxation operator even for calculations of isolated-line characteristics.
authors.affiliation: Institut UTINAM UMR CNRS 6213, Université de Franche-Comté, 16 Route de Gray, 25030 Besançon cedex, France.
authors.forename: Jeanna
authors.initials: J
authors.lastname: Buldyreva
authors.forename: Leila
authors.initials: L
authors.lastname: Daneshvar