Static structure factor and electronic transport properties of liquid rubidium from a first principles pseudopotential calculation

Abstract

A first principles nonlocal pseudopotential calculation is used to obtain the ion-ion potential for liquid rubidium of 45°C. This is then used in a Monte Carlo simulation to determine the liquid structure S( q) and transport properties. It is found that the accuracy of the S( q), in the low q-region, is crucial to the calculation of electronic transport properties.