STRUCTURE OF EXPANDED LIQUID CESIUM

We have investigated theoretically the structural change in expanded liquid Caesium from the melting point up to its critical point along the liquid-vapour coexistence curve, which have been studied recently by the neutron scattering experiment due to Winter et al. We have calculated the structure factor and the pair distribution function by the integral equation theory, the modified hypernetted-chain(MHNC) approximation, and by the molecular dynamic(MD) simulation on the basis of the pair potentials obtained by the pseudopotential theory with two types of empty-core pseudopotentials. The agreement between the results of two theoretical methods, the MHNC and the MD, is excellent. It is shown that the characteristic features of the structure of the expanded liquid Cs as a function of density can be well reproduced theoretically. © 1990.