Intra- and inter-shell correlation effects in Li-like ions: an analysis of the first excited state

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Abstract
Intra- and inter-shell correlation effects have been analysed in detail for a series of Li-like ions in their first excited state. This (1s22p alpha )2P state was described at the correlated and Hartree-Fock levels by the wavefunctions of Weiss. Coulomb holes and partial 'holes' were determined in position space for the individual electronic shells and, for the K alpha K beta shell, the authors also evaluated several statistical correlation coefficients. For comparability with the 2S ground state, the discussion centred mainly on Li. When comparing different states, the partial Coulomb holes were particularly useful in providing insight into the changing characteristics of electron correlation within a specific shell. It was found that excitation of the outer electron not only influenced the correlation effects in the K alpha L alpha and K beta L alpha inter-shells but, equally noteworthy, a marked shift occurred in the radial and angular components of correlation in the intra-shell. The analysis was also capable of highlighting a weakness in the correlated description of the 2P state inter-shells.

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