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- W2615202396 abstract "The dipole shielding factors for the He and Be isoelectronic sequences have been calculated by the three uncoupled Hartree–Fock (UCHF) methods, γUCHF = γ0, by the three UCHF methods with the first-order perturbation correction (PUCHF methods), γPUCHF = γ0 + γ1, and by the geometric approximation based on the three PUCHF methods, γgeom = γ0(1 − γ1 / γ0)−1. The significance of the different amounts of self-potential included in the three PUCHF methods is demonstrated by comparing the results with results from coupled Hartree–Fock (CHF) calculations and the theoretical values. For the He isoelectronic sequence the PUCHF Method C1/2 is considered to be the best. The range of error of γ0 compared with γCHF is 0.14%–0.49%. The range of error of γ0 + γ1 or of γgeom compared with γCHF is 0.01%–0.13%. Larger errors in the Be series are attributed to the restricted forms of the Hartree–Fock wavefunction and the variational first-order orbitals." @default.
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- W2615202396 date "1971-08-01" @default.
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- W2615202396 title "Different Perturbed Uncoupled Hartree–Fock (PUCHF) Methods for Physical Properties. II. Dipole Shielding Factors" @default.
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- W2615202396 doi "https://doi.org/10.1063/1.1676220" @default.
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