Configuration-interaction calculation of the Cue+ ground state

James Mitroy, G. G. Ryzhikh

    Research output: Contribution to journalComment/debate


    A configuration-interaction (CI) calculation has confirmed an earlier prediction of positron binding to neutral copper. The single-centre CI expansion gave a binding energy of 0.003 69 Hartree and a 2 annihilation rate of 0.246 ? 109 s-1. The energy and annihilation rate are different from a previous calculation using the fixed-core stochastic variational method (FCSVM) due to the slow convergence of the CI calculation with respect to the number of spherical harmonics included in the CI expansion. An extrapolation of the CI calculation to the infinite spherical harmonic limit improves the quality of agreement with the earlier FCSVM calculation. The present calculation highlights the importance of an explicit treatment of the strong electron-positron correlations which are present when positrons interact with atoms.
    Original languageEnglish
    Pages (from-to)2831-2839
    Number of pages9
    JournalJournal of Physics B: Atomic Molecular and Optical Physics
    Issue number12
    Publication statusPublished - 1999


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