A self-consistent variation-perturbation theory for open shell atomic systems: Calculation of polarizabilities and shielding factors

In this paper a fully coupled variation-perturbation theory has been introduced for handling open-shell atomic systems in the presence of static perturbations. The static dipolar and quadrupolar polarizabilities and shielding factors for Li, Be⁺, B²⁺, B, C⁺, Na and Al have been calculated and compared with available results. Important sources of discrepancies in previous calculations of shielding factors have been noticed and critically examined. The dipolar shielding factors calculated in this paper show satisfactory agreement with the theoretical N/Z ratio. In the absence of any theoretical test for the quadrupolar shielding factor, the accuracy of the calculations of γ_∞, should be judged in the light of the accuracy of the corresponding β∞ values.