作者: Jeanna Buldyreva , Leila Daneshvar
DOI: 10.1063/1.4825254
关键词: Operator (physics) 、 Isotropy 、 Space (mathematics) 、 Spectral line 、 Linear molecular geometry 、 Raman spectroscopy 、 Relaxation (physics) 、 Analytical chemistry 、 Chemistry 、 Molecular physics 、 Detailed 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.