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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| Format: | Article |
| Language: | English |
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Kazan Federal University
2018-06-01
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| Series: | Magnetic Resonance in Solids |
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| Online Access: | http://mrsej.kpfu.ru/contents/2018/MRSej_18105.pdf |
| Summary: | 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. |
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| ISSN: | 2072-5981 |