Abstract
A method for calculating multiparticle interatomic interaction potentials for binary alloys within the framework of a model electron density functional is presented. An expression for the total ground state energy of metals and alloys is obtained. It is shown that in simplicity of the computational scheme and speed of computation, this approach does not yield to the method of inserted atoms, but has a more rigorous physical basis in comparison with the latter.
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 4, pp. 90–99, April, 1996.
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Tsai, K.V., Kuznetsov, V.M., Kaminskii, P.P. et al. Multiparticle interatiomic interaction potentials for alloys using the model electron density functional method. Russ Phys J 39, 367–374 (1996). https://doi.org/10.1007/BF02068061
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DOI: https://doi.org/10.1007/BF02068061