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Zapiski Nauchnykh Seminarov POMI, 2000, Volume 269, Pages 21–42
(Mi znsl1303)
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This article is cited in 3 scientific papers (total in 3 papers)
Oxyden in MgO crystal. Local approach
I. V. Abarenkovab, I. M. Antonovaba a Saint-Petersburg State University
b St. Petersburg Department of V. A. Steklov Institute of Mathematics, Russian Academy of Sciences
Abstract:
The non-canonical localized Hartree–Fock orbitals of O$^{2-}$ ion in MgO crystal were calculated in the present paper with the help of the special variational procedure, the variational parameters being transferred from the wave function into the confining potential simulating the crystal environment. The cluster expansion for the crystal energy was employed and the summation over the crystal was made up to convergency. This
procedure enabled one to incorporate in the natural way the intraionic correlation effects. The calculated cohesive properties of MgO are in good agreement with the experiment.
Received: 13.11.2000
Citation:
I. V. Abarenkov, I. M. Antonova, “Oxyden in MgO crystal. Local approach”, Questions of quantum field theory and statistical physics. Part 16, Zap. Nauchn. Sem. POMI, 269, POMI, St. Petersburg, 2000, 21–42; J. Math. Sci. (N. Y.), 115:1 (2003), 1898–1909
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https://www.mathnet.ru/eng/znsl1303 https://www.mathnet.ru/eng/znsl/v269/p21
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Abstract page: | 242 | Full-text PDF : | 137 |
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