Rayleigh-Brillouin light scattering spectra of CO2 from molecular dynamics
Seyed Hossein Jamali (TU Delft - Mechanical Engineering)
Mariette de Groen (TU Delft - Mechanical Engineering)
Othon Moultos (TU Delft - Mechanical Engineering)
Remco Hartkamp (TU Delft - Mechanical Engineering)
Thijs Vlugt (TU Delft - Mechanical Engineering)
Wim Ubachs (Vrije Universiteit Amsterdam)
Willem van de Water (TU Delft - Mechanical Engineering)
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Abstract
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.