Abstract
By treating a liquid metal as a mixture consisting of nuclei and electrons, we have derived a set of integral equations for calculating radial distribution functions (RDF's) from the atomic number as the only input; the internal atomic structure of an ion in a liquid metal is obtained self-consistently with the liquid structure at the same time. Here, we apply this formulation to a liquid metallic lithium using two approximations: (1) the local-field correction factor for electrons in a liquid metal is approximated by that of the jellium model and (2) the ion-ion bridge function is replaced by that of Percus-Yevick equation for a hard-sphere fluid. We calculate the structure factors at 470 and 595 K, which show excellent agreement with the experimental results. Also we obtain the electron-ion RDF, which gives a nonlinear pseudopotential determining an effective interatomic interaction.
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