Many-body calculations of atomic properties. II. Spin-orbit coupling

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Abstract
For pt.I see ibid., vol.16, no.16, p.2891-912 (1983). Many-body perturbation theory has been applied to compute the spin-orbit coupling in the ground states of O, F, Al, Si, S and Cl, and in the first excited 2D state of N and P. The present calculations are based on analytic expansions of the single-particle states and are complete to third order with some important fourth-order diagrams included. In the cases of N, O, Si, P and Cl the present results are found to account for about 80% of the discrepancy between experimental and Hartree-Fock values. For the more troublesome cases of F, Al and S about 60% of the discrepancies are recovered. Core polarisation effects are found to yield the dominant contribution in all cases except fluorine. Correlation contributions were, however, in most cases also found to be of considerable importance. The remaining discrepancies between theoretical and experimental results seem to be mostly related to neglected high-order correlation diagrams.

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