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March 15, 1977Physical review. B, Solid state260 citations

Local density theory of metallic cohesion

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VMV. L. MoruzziIBM (United States)AWA. R. WilliamsUniversity of BristolJJJ. F. JanakIBM Research - Thomas J. Watson Research Center

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Abstract

We present the results of extensive numerical experiments designed to test the ability of the local-density theory of electronic exchange and correlation to describe binding in both simple and transition metals. Predicted nuclear separations, cohesive energies, and bulk moduli for 26 third- and fourth-row metals exhibit remarkable agreement with experiment. The only input to these calculations is the atomic number.

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Moruzzi et al. (1977) studied this question.

synapsesocial.com/papers/6a09006257846b5001d39418https://doi.org/10.1103/physrevb.15.2854
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