Transferable individual local pseudopotential for expanded liquid metals

摘要

The evanescent-core individual EC(I) local pseudopotential proposed by Fiolhais et al., which was originally developed for solid state, is transferred into the expanded liquid state for Na, K, Rb and Cs. The dominant parameters R and a of EC(1) pseudopotential are made density dependent with the help of two conditions: (1) the stabilized jellium model with respect to the average valance-electron density parameter r(s), (2) the enthalpy of the liquid should equal to realistic values at the same r(s) prediction of the stabilized jelliurn with effective valance Z* equals to one. We test the validity of our method by consulting the computer simulation effective pair-potential at melting point and the empirical entropy at the whole temperature range available for expanded liquids Na, K, Rb and Cs. (c) 2007 Elsevier B.V. All rights reserved.