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Uniform electron gases. I. Electrons on a ring

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Authors

Loos, Pierre-François
Gill, Peter M. W.

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American Institute of Physics

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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 ε(rs,n)=ε0(n)r−2s+ε1(n)r−1s+ε2(n)+ε3(n)rs+⋯ , where r s is 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)r−1s+η1(n)r−3/2s+η2(n)r−2s+⋯ . 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 r s values.

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Journal of Chemical Physics

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