Uniform electron gases. I. Electrons on a ring

Pierre François Loos, Peter M.W. Gill

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    29 Citations (Scopus)

    Abstract

    We introduce a new paradigm for one-dimensional uniform electron gases (UEGs). In this model, n electrons are confined to a ring and interact via a bare Coulomb operator. We use Rayleigh-Schrödinger perturbation theory to show that, in the high-density regime, the ground-state reduced (i.e., per electron) energy can be expanded as (rs,n)=ε0(n) rs-21(n)rs-12(n)+3(n)rs+, where rs+⋯ where rsis the Seitz radius. We use strong-coupling perturbation theory and show that, in the low-density regime, the reduced energy can be expanded as ε (rs,n)=η0(n)rs- 1+η1(n)rs-3/22(n)rs-2+. We report explicit expressions for ε0(n), ε1(n), ε2(n), ε3(n), η0(n), and η1(n) and derive the thermodynamic (large-n) limits of each of these. Finally, we perform numerical studies of UEGs with n 2, 3,⋯, 10, using Hylleraas-type and quantum Monte Carlo methods, and combine these with the perturbative results to obtain a picture of the behavior of the new model over the full range of n and rs values.

    Original languageEnglish
    Article number164124
    JournalJournal of Chemical Physics
    Volume138
    Issue number16
    DOIs
    Publication statusPublished - 28 Apr 2013

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