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

O.A. Anikeenok
2018 Magnetic Resonance in Solids  
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 and rapidly converging series in the space of reciprocal lattice vectors.
doaj:4b36bee9aa2c4d06b731455f2b7ae759 fatcat:6luhgleeonczhpqh7nbmsvesdy