Extension of the non-Markovian Energy-Corrected Sudden model to the case of parallel and perpendicular infrared bands

作者: Jeanna Buldyreva , Leila Daneshvar

DOI: 10.1063/1.4825254

关键词: Operator (physics)IsotropySpace (mathematics)Spectral lineLinear molecular geometryRaman spectroscopyRelaxation (physics)Analytical chemistryChemistryMolecular physicsDetailed balance

摘要: 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 infrared absorption by molecules with stretching bending modes. Basic relations such as detailed balance double-sided sum rules rotational relaxation matrix are easily satisfied owing specific choice a symmetric metric in Liouville space. single set model parameters deduced from experimental widths isolated isotropic lines enables calculations line-shape characteristics full up far wings. Applications important but quite complex example pure carbon dioxide indicate crucial role frequency dependence operator even isolated-line characteristics.

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