Rayleigh-Brillouin light scattering spectra of CO2 from molecular dynamics

Seyed Hossein Jamali, Mariette De Groen, Othonas A. Moultos, Remco Hartkamp, Thijs J.H. Vlugt, Wim Ubachs, Willem Van De Water

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Rayleigh-Brillouin light scattering spectra of CO2 at ultraviolet wavelengths are computed from molecular dynamics which depends on intermolecular potentials only. We find excellent agreement with state of the art experimental data. This agreement was reached in a minimal computational box with sides one scattering wavelength long and integrating the classical trajectories over 20 ns. We also find complete consistency with models based on kinetic theory, which take known values of the transport coefficients as input.

Original languageEnglish
Article number064201
Pages (from-to)1-8
Number of pages8
JournalJournal of Chemical Physics
Issue number6
Publication statusPublished - 14 Aug 2019

Bibliographical note

Niet werkende Doi: 10.1063/1.5110676


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