Correlation energy of the spin-polarized uniform electron gas at high density
arXiv:1104.0498 · doi:10.1103/PhysRevB.84.033103
Abstract
The correlation energy per electron in the high-density uniform electron gas can be written as $\Ec(r_s,ζ) = \lam_0(ζ) \ln r_s + \eps_0(ζ) + \lam_1(ζ) \,r_s \ln r_s + O(r_s)$, where is the Seitz radius and is the relative spin polarization. We derive an expression for $\lam_1(ζ)$ which is exact for any , including the paramagnetic and ferromagnetic limits, $\lam_1(0)$ and $\lam_1(1)$, and discover that the previously published $\lam_1(1)$ value is incorrect. We trace this error to an integration and limit that do not commute. The spin-resolution of $\lam_1(ζ)$ into contributions of electron pairs is also derived.
4+ pages, 2 figures, 2 tables, submitted to Phys. Rev. B
References in corpus (1)
Cited by in corpus (7)
- Comment on "Communication: Simple and accurate uniform electron gas correlation energy for the full range of densities" [J. Chem. Phys. 145, 021101 (2016)]
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