TY - JOUR
T1 - Uniform electron gases. I. Electrons on a ring
AU - Loos, Pierre François
AU - Gill, Peter M.W.
PY - 2013/4/28
Y1 - 2013/4/28
N2 - 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-2+ε1(n)rs-1+ε 2(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-3/2+η2(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.
AB - 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-2+ε1(n)rs-1+ε 2(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-3/2+η2(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.
UR - http://www.scopus.com/inward/record.url?scp=84877265903&partnerID=8YFLogxK
U2 - 10.1063/1.4802589
DO - 10.1063/1.4802589
M3 - Article
SN - 0021-9606
VL - 138
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 16
M1 - 164124
ER -