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Correlation energy of the spin-polarized uniform electron gas at high density

Strongly Correlated Electrons 2011-08-08 v3 Other Condensed Matter Chemical Physics Computational Physics

Abstract

The correlation energy per electron in the high-density uniform electron gas can be written as \Ec(rs,ζ)=\lam0(ζ)lnrs+\eps0(ζ)+\lam1(ζ)rslnrs+O(rs)\Ec(r_s,\zeta) = \lam_0(\zeta) \ln r_s + \eps_0(\zeta) + \lam_1(\zeta) \,r_s \ln r_s + O(r_s), where rsr_s is the Seitz radius and ζ\zeta is the relative spin polarization. We derive an expression for \lam1(ζ)\lam_1(\zeta) which is exact for any ζ\zeta, including the paramagnetic and ferromagnetic limits, \lam1(0)\lam_1(0) and \lam1(1)\lam_1(1), and discover that the previously published \lam1(1)\lam_1(1) value is incorrect. We trace this error to an integration and limit that do not commute. The spin-resolution of \lam1(ζ)\lam_1(\zeta) into contributions of electron pairs is also derived.

Keywords

Cite

@article{arxiv.1104.0498,
  title  = {Correlation energy of the spin-polarized uniform electron gas at high density},
  author = {Pierre-François Loos and Peter M. W. Gill},
  journal= {arXiv preprint arXiv:1104.0498},
  year   = {2011}
}

Comments

4+ pages, 2 figures, 2 tables, submitted to Phys. Rev. B