Comment on "Multireference configuration-interaction calculations for positronium halides" [J. Chem. Phys. 122, 054302 (2005)]

James Mitroy, Michael William James Bromley

    Research output: Contribution to journalComment/debate

    Abstract

    Large-scale configuration–interaction calculations of the binding energies and annihilation rates of the positronium halides, PsF, PsCl, PsBr, and PsI [S. L. Saito, J. Chem. Phys. 122 054302 (2005)], have made erroneous predictions about the structures of these atoms. The predictions were based on small annihilation rates, which result from using a small basis and additionally invalid estimates of the contributions from single-particle orbitals with >8.
    Original languageEnglish
    Pages (from-to)017101-1-017101-2
    Number of pages2
    JournalJournal of Chemical Physics
    Volume123
    Issue number1
    DOIs
    Publication statusPublished - 2005

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