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.
| Original language | English |
|---|---|
| Article number | 064201 |
| Pages (from-to) | 1-8 |
| Number of pages | 8 |
| Journal | Journal of Chemical Physics |
| Volume | 151 |
| Issue number | 6 |
| DOIs | |
| Publication status | Published - 14 Aug 2019 |
Bibliographical note
Niet werkende Doi: 10.1063/1.5110676Funding
This work was sponsored by NWO Exacte Wetenschap-pen (Physical Sciences) for the use of supercomputer facilities, with financial support from the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (Netherlands Organisation for Scientific Research, NWO). The authors gratefully acknowledge the work of Ziyu Gu, who has obtained the experimental data. The core part of the code that computes the Tenti models has been kindly provided to us by Xingguo Pan. T.J.H.V. acknowledges NWO-CW (Chemical Sciences) for a VICI grant. Othonas A. Moultos gratefully acknowledges the support of NVIDIA Corporation with the donation of the Titan V GPU used for this research.