Use of integral-equation theory in determining the structure and thermodynamics of liquid alkali metals

Abstract

Assuming that the interionic forces can be modeled by the effective pair potential u(r) arising in second-order pseudopotential theory, we have calculated the structure factor S(q) and some thermodynamic properties of the alkali metals. The pair potential is derived from a local empty-core pseudopotential including a core-valence exchange correlation. The calculations of the structure and thermodynamics are performed with the self-consistent integral equation called the hybridized mean spherical approximation (HMSA). The results presented in detail are in very good agreement with experiments for all the alkali metals near their melting points as well as for Rb and Cs along the liquid-vapor coexistence curve.