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Spin-density functional method and the ground state of solids. IV

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Abstract

The total energy of the ground state of the electron fluid in the nuclear field is found. An expression is derived for the binding energy of a solid and constraints imposed on the density functional when solving the variational problem are formulated. A study is made of the ground state of lithium, sodium, potassium, and rubidium. The values of the binding energy, equilibrium volumes, compressibility, and localized magnetic moments are calculated. It is shown that the valence-electron fluid in the metals studied is described by a quasihomogeneous density functional.

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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 6, pp. 38–43, June, 1979.

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Beznosyuk, S.A., Khon, Y.A., Kuznetsov, V.M. et al. Spin-density functional method and the ground state of solids. IV. Soviet Physics Journal 22, 600–605 (1979). https://doi.org/10.1007/BF00891550

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  • DOI: https://doi.org/10.1007/BF00891550

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