Abstract
The effective interatomic pair potential of Na and its asymptotic form are computed from first principles using the pseudopotential method taking into account successively the exchange-correlation effects, the density of orthogonal holes, and shifts in the energies of the internal electronic levels. The potential obtained was used to estimate the role of long range action in stabilization of the stable crystalline modification.
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V. A. Smirnov, S. I. Podkorytov, Yu. V. Kiselev, and É. V. Kozlov, Izv. Vyssh. Uchebn. Zaved., Fiz., No. 8, 39 (1979).
W. A. Harrison, Pseudopotentials in the Theory of Metals, W. A. Benjamin (1966).
E. G. Brovman and Yu. M. Kagan, Usp. Fiz. Nauk,112, 369 (1974).
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 3, pp. 28–31, March, 1982.
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Smirnov, V.A., Kiselev, Y.V. & Kozlov, É.V. Formation of the total energy of the stable modification of a simple metal. Soviet Physics Journal 25, 213–216 (1982). https://doi.org/10.1007/BF00891687
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DOI: https://doi.org/10.1007/BF00891687