Abstract
A variational method is proposed that allows one to take into account electron-electron correlations. The variational parameters are the coordinates of the center of a one-particle atomic orbital. The displacement introduced in this way also makes it possible to graphically describe the redistribution of the electron density under an anisotropic external action in terms of a finite initial basis. A generalization of the traditional MO-LCAO scheme in the framework of the model proposed is considered.
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Translated from Fizika Tverdogo Tela, Vol. 42, No. 5, 2000, pp. 826–834.
Original Russian Text Copyright © 2000 by Panov, Moskvin.
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Panov, Y.D., Moskvin, A.S. Electron-electron correlations in the model of mobile electron shells. Phys. Solid State 42, 846–856 (2000). https://doi.org/10.1134/1.1131300
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DOI: https://doi.org/10.1134/1.1131300