Light scattering by alkali halides melts: a comparison of shell-model and rigid-ion computer simulation results

4 November 1991

journal article
Published by IOP Publishing in Journal of Physics: Condensed Matter

Vol. 3 (44) , 8751-8756
https://doi.org/10.1088/0953-8984/3/44/018

Abstract

Molecular dynamics computer simulations with shell-model potentials have been used to calculate the light scattering (Raman) spectra of molten LiCl. A significant improvement in the level of agreement with experiment is found over previous simulations with rigid-ion potentials. The improvement is attributed to the better description of the relaxation of the charge-density fluctuations in the shell-model simulations.

Keywords

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