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AbstractAbstract
[en] The application of ab initio single-configuration orbital theories to predict the existence and energies of autodetaching states or resonances in atoms and molecules is considered and numerical results given for the (ns)2 resonances in H- and He. In some cases (e.g. He) the conventional orbital theories (either Hartree-Fock or the local spin density approximation for exchange and correlation) give useful results but the important autodetaching states of negative ions are usefully described only by the new self-interaction-corrected (SIC) version of the local spin density approximation. The appearance and subsequent disappearance of a (1s)2 resonance in a two-electron ion as the nuclear charge Z is reduced below 1 is discussed. The SIC calculation for this system displays an analogue to the 'bound state in the continuum' which Stillinger found for Z approximately equal to 0.9. (author)
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Journal of Physics. B, Atomic and Molecular Physics; ISSN 0022-3700;
; v. 14(7); p. L233-L236

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