Correlation energy of two electrons in a ball

Pierre Fraņois Loos*, Peter M.W. Gill

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    22 Citations (Scopus)

    Abstract

    We study the ground-state correlation energy Ec of two electrons of opposite spin confined within a D -dimensional ball (D≥2) of radius R. In the high-density regime, we report accurate results for the exact and restricted Hartree-Fock energy, using a Hylleraas-type expansion for the former and a simple polynomial basis set for the latter. By investigating the exact limiting correlation energy Ec(0) = limR→0 Ec for various values of D, we test our recent conjecture [P.-F. Loos and P. M. W. Gill, J. Chem. Phys. 131, 241101 (2009)] that in the large- D limit, Ec(0) ∼- δ2 /8 for any spherically symmetric confining external potential, where δ=1/ (D-1).

    Original languageEnglish
    Article number234111
    JournalJournal of Chemical Physics
    Volume132
    Issue number23
    DOIs
    Publication statusPublished - 21 Jun 2010

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