Rayleigh-Brillouin light scattering spectra of CO2 from molecular dynamics

Seyed Hossein Jamali, Mariette de Groen, Othon Moultos, Remco Hartkamp, Thijs Vlugt, Wim Ubachs, Willem van de Water

Research output: Contribution to journalArticleScientificpeer-review

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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
Number of pages7
JournalJournal of Chemical Physics
Issue number6
Publication statusPublished - 2019

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Green Open Access added to TU Delft Institutional Repository ‘You share, we take care!’ – Taverne project https://www.openaccess.nl/en/you-share-we-take-care

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