The Structure of Liquid Alkali Metals Calculated by the Thermodynamic Perturbation Theory

Authors: H. BİRTAN KAVANOZ, İDRİS GÜMÜŞ

Abstract: The structure of a hard sphere fluid has been calculated numerically via the Percus-Yevick (PY) and hypernetted-chain (HNC) closure relations and used as a reference system to calculate the structure of liquid alkali metals under the optimized random-phase approximation (ORPA) using the effective ion-ion pair potential formed by the Heine-Abarenkov (HA), and the empty-core (EC) pseudopotentials. The results are compared with experimental results. The calculations made by the reference system under the HNC closure relation are in better agreement with experimental results than those found under the PY closure relation.

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