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The structure of the liquid alkali metals

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Zeitschrift für Physik B Condensed Matter

Abstract

We present calculations of the structure of the liquid alkali-metals, based on the optimized random phase approximation and on effective interatomic pair potentials derived from pseudopotential perturbation theory. In our approach the atomic interactions are decomposed self-consistently into a repulsive short-ranged part and a weak long-range perturbation, the repulsive part being modelled by a hard-sphere reference system via the Weeks-Chandler Andersen functional expansion. We show detailed comparisons with computer-simulation data and with experiment, demonstrating that the optimized random phase approximation with a hard-sphere reference system applies equally well to the liquid alkali metals as to the liquid polyvalent metals. Thus it is a comprehensive description of all liquid simple metals from Li to Pb.

The conceptual advantages of this method as compared to other approaches are discussed.

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Authors and Affiliations

  1. Institut für Theoretische Physik, Technische Universität Wien, Karlsplatz 13, A-1040, Wien, Austria

    G. Kahl & J. Hafner

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  1. G. Kahl
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  2. J. Hafner
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Kahl, G., Hafner, J. The structure of the liquid alkali metals. Z. Physik B - Condensed Matter 58, 283–291 (1985). https://doi.org/10.1007/BF01303669

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  • DOI: https://doi.org/10.1007/BF01303669

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