Abstract
An expression for the total energy of an alloy with an arbitrary degree of long-range order is written within the framework of the method of the electron-density functional. A method is proposed for calculation of the Coulomb, kinetic, and exchange-correlation energies. The ground state of the alloys Na-Li and Rb-K is investigated.
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 11, pp. 35–41, November, 1978.
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Kuznetsov, V.M., Beznosyuk, S.A., Khon, Y.A. et al. Ground state of alloys by the method of the electron density functional. Soviet Physics Journal 21, 1416–1420 (1978). https://doi.org/10.1007/BF00890347
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DOI: https://doi.org/10.1007/BF00890347