Calculation of the matrix elements of the long-range Coulomb interaction in low-symmetry crystals

The expressions for calculating the matrix elements of the Coulomb interaction between an electron and a low-symmetry infinite crystal lattice have been obtained. One-center matrix elements are considered. The Gaussian type of orbitals (GTO) is used in calculations. All expressions are absolutely an...

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Bibliographic Details
Main Author: O.A. Anikeenok
Format: Article
Language:English
Published: Kazan Federal University 2018-06-01
Series:Magnetic Resonance in Solids
Subjects:
Online Access:http://mrsej.kpfu.ru/contents/2018/MRSej_18105.pdf