Варіаційний розрахунок Li-подібних йонів від B+2 до N+4 з використанням хвильової функції Хартрi–Фока–Рутаана β -типу
Within the KaKB, KaLa, and KBLa shells in the position space, the properties of a series of three-electron systems, for instance, B+2, C+3, and N+4 ions, have been studied. This required the partitioning of the two-particle space-spin density and was explicit for the Hartree–Fock description which h...
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| Date: | 2021 |
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| Main Author: | |
| Format: | Article |
| Language: | English |
| Published: |
Publishing house "Academperiodika"
2021
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| Subjects: | |
| Online Access: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2020240 |
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| Journal Title: | Ukrainian Journal of Physics |
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Ukrainian Journal of Physics| Summary: | Within the KaKB, KaLa, and KBLa shells in the position space, the properties of a series of three-electron systems, for instance, B+2, C+3, and N+4 ions, have been studied. This required the partitioning of the two-particle space-spin density and was explicit for the Hartree–Fock description which have been proposed by considering a basis set based on single-zeta B-type orbitals (BTOs). The one- and two-body radial electronic densities R(r1), R(r1, r2), moments ⟨rn1⟩, X-ray form factor F(s), nucleus density R(0), nuclear magnetic shielding constant qd, and the diamagnetic susceptibility бs in the position space are reported. Our results are realized via the Mathematica program and compared with previous theoretical values in the literature. |
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