Variational Calculation of Lithium-Like Ions from B+2 to N+4 Using β-Type Roothaan–Hartree–Fock Wavefunction


  • Hamid Al-Jibbouri College of Science, University of Al-Qadisiyah



Roothaan–Hartree–Fock, B-type orbitals, X-ray form factor, nuclear magnetic shielding constant, diamagnetic susceptibility


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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How to Cite

Al-Jibbouri, H. (2021). Variational Calculation of Lithium-Like Ions from B+2 to N+4 Using β-Type Roothaan–Hartree–Fock Wavefunction. Ukrainian Journal of Physics, 66(8), 684.



General physics