Structural studies of liquid rubidium at various temperatures using molecular dynamics simulation technique

Abstract

We have studied the structural properties like pair distribution function g(r), and structure factor S(q) of liquid rubidium at various temperature using molecular dynamics (MD) simulation technique with pseudopotential proposed by us. Good agreement with the experiment is observed for the pair distribution function, structure factor and coordination number. The present investigations are also compared with the results obtained by other theoretical calculations, showing the transferability of the pseudopotential used from solid to liquid environment in the case of rubidium.