Effective Valencies of Liquid 3d Transition Metals Estimated from the Gibbs-Bogoliubov Variational Method Using the One-Component Plasma Reference System

We present the effective valencies of liquid 3d transition metals estimated from the Gibbs-Bogoliubov variational method using the classical one-component plasma reference system.The effective pair interactions are calculated within the framework of the simple-metal theory.We employ the Ashcroft empty-core form for the s-electron pseudopotential.The value of the core radius is uniquely determined by the density of the system of interest.The effective valencies determined from the variational method are compatible with those obtained from other theoretical works.The calculated values of the long-wavelength limit of the structure factor are in excellent agreement with the available experimental values.

Abstract licence: CC BY-NC-ND

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