Abstract
Wills and Harrison (WH) [1] presented the effective pair potential for transition metals as a sum of two terms. (The first one arises due to d electrons, while the second corresponds to the standard pair potential in the nearly-free-electron (NFE) theory and may be calculated on the base of the ion-s-electron interaction): φWH(r) = φd(r) + φNFE(r). (1) To calculate the φNFE(r) in liquid transition metals, it was suggested [2–4] to use the Bretonnet–Silbert (BS) local model pseudopotential (MP) [5] (in the last years, this MP has been successfully used for the liquid Ag–In study [6–8]). Up to now, the contributions φd(r) and φNFE(r) were treated as independent of each other. Here, we suggest a consistency for them. In Sect. 2, we furnish the Bretonnet–Silbert pseudopotential formalism. In Sect. 3, the d-electron part of the WH effective pair potential is described. In Sect. 4, we introduce the relationship between proofs of Sects. 2 and 3. The influence of the relationship presented on the pair interaction in liquid iron is discussed in Sect. 5.
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