Dynamic structure factor in warm dense beryllium

Abstract

We calculate the dynamic structure factor (DSF) in warm dense beryllium by means of ab initio molecular dynamics simulations. The dynamic conductivity is derived from the Kubo-Greenwood formula, and a Drudelike behaviour is observed. The corresponding dielectric function is used to determine the DSF. Since the ab initio approach is so far only applicable for wavenumbers k = 0, the k-dependence of the dielectric function is modelled via the Mermin ansatz. We present the results for the dielectric function and DSF of warm dense beryllium and compare these with perturbative treatments such as the Born-Mermin approximation. We found considerable differences between the results of these approaches; this underlines the need for a first-principles determination of the DSF of warm dense matter.