Rayleigh-Brillouin light scattering spectra of CO2 from molecular dynamics
SH Jamali and M de Groen and OA Moultos and R Hartkamp and TJH Vlugt and W Ubachs and W van de Water, JOURNAL OF CHEMICAL PHYSICS, 151, 064201 (2019).
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. Published under license by AIP Publishing.
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