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December 10, 1984Physical Review Letters26 citations

Pseudojellium Model for Surface Properties of Simple Metals

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CDConstantino A. Utreras DíazHSHerbert B. Shore

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Abstract

A new simple method is presented for calculating properties of nonuniform real metals, i.e., surfaces, vacancies, small clusters, etc. The bulk metal is represented by a jelliumlike homogeneous electron gas with an effective exchange-correlation energy that includes electron-ion correlations. As an example, the method is applied to calculate surface energies. One-dimensional calculations, with no further corrections for the lattice, give results in reasonable agreement with experiment.

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Cite This Study

Díaz et al. (1984) studied this question.

synapsesocial.com/papers/6a769a620c402be7277d1bf3https://doi.org/10.1103/physrevlett.53.2335
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Also Consider

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  1. 1Compressibility and Binding Energy of the Simple Metals1967 · 356 citations
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  3. 3Erratum: Surfaces of real metals by the variational self-consistent method1980 · 17 citations
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