Bound electron screening effect on ion-ion potential of warm and hot dense matter.

Abstract

The effects of bound electron screening in warm and hot dense matter are investigated analytically and a theoretical description of screened short-range repulsion is given meanwhile. An empirical ion-ion potential including the classic charge screening and chemical bond attraction at various temperatures and densities is proposed. By solving hypernetted chain equations and comparing the obtained radial distribution function (RDF) with ab initio simulations, the proposed ion-ion potential is found to be promising over a wide range of temperatures and densities for warm dense aluminum and iron. The elastic scattering amplitude and the x-ray absorption near the edge structure of warm dense aluminum calculated from the obtained RDF are in good agreement with experiment results.