Interaction of atoms in approxomation of spherical symmetry of shells - Baranov, Michail
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The strict theory, describing interaction of atoms of different chemical elements based on exact analytical representation of two-centered coulomb overlap integrals of electronic shells given as smearing spheres is offered. It is significant that the parameters of distribution of electronic density occur simultaneously the parameters of interatomic potentials. Just this circumstance open possibility to determine the values of the parameters from available experimental data. Thus we obtain the instrument for measurement of outlying electron density and description of substances of complex…mehr

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Produktbeschreibung
The strict theory, describing interaction of atoms of different chemical elements based on exact analytical representation of two-centered coulomb overlap integrals of electronic shells given as smearing spheres is offered. It is significant that the parameters of distribution of electronic density occur simultaneously the parameters of interatomic potentials. Just this circumstance open possibility to determine the values of the parameters from available experimental data. Thus we obtain the instrument for measurement of outlying electron density and description of substances of complex chemical composition. As one of the perspective application of the theory is considered so named high-entropy alloys.
Autorenporträt
Baranov Michail Alexandrovich was born in the Altai region of Russia in 1952. He has finished the physical faculty of Tomsk State University in 1974. He is doctor of phys.and math. sciences, professor of Altai State Technical University in Barnaul.