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- W2049079467 abstract "We propose a simple analytic representation of the correlation energy ${mathrm{ensuremath{varepsilon}}}_{mathit{c}}$ for a uniform electron gas, as a function of density parameter ${mathit{r}}_{mathit{s}}$ and relative spin polarization ensuremath{zeta}. Within the random-phase approximation (RPA), this representation allows for the ${mathit{r}}_{mathit{s}}^{mathrm{ensuremath{-}}3/4}$ behavior as ${mathit{r}}_{mathit{s}}$ensuremath{rightarrow}ensuremath{infty}. Close agreement with numerical RPA values for ${mathrm{ensuremath{varepsilon}}}_{mathit{c}}$(${mathit{r}}_{mathit{s}}$,0), ${mathrm{ensuremath{varepsilon}}}_{mathit{c}}$(${mathit{r}}_{mathit{s}}$,1), and the spin stiffness ${mathrm{ensuremath{alpha}}}_{mathit{c}}$(${mathit{r}}_{mathit{s}}$)=${mathrm{ensuremath{partial}}}^{2}$${mathrm{ensuremath{varepsilon}}}_{mathit{c}}$(${mathit{r}}_{mathit{s}}$, ensuremath{zeta}=0)/ensuremath{delta}${mathrm{ensuremath{zeta}}}^{2}$, and recovery of the correct ${mathit{r}}_{mathit{s}}$ln${mathit{r}}_{mathit{s}}$ term for ${mathit{r}}_{mathit{s}}$ensuremath{rightarrow}0, indicate the appropriateness of the chosen analytic form. Beyond RPA, different parameters for the same analytic form are found by fitting to the Green's-function Monte Carlo data of Ceperley and Alder [Phys. Rev. Lett. 45, 566 (1980)], taking into account data uncertainties that have been ignored in earlier fits by Vosko, Wilk, and Nusair (VWN) [Can. J. Phys. 58, 1200 (1980)] or by Perdew and Zunger (PZ) [Phys. Rev. B 23, 5048 (1981)]. While we confirm the practical accuracy of the VWN and PZ representations, we eliminate some minor problems with these forms. We study the ensuremath{zeta}-dependent coefficients in the high- and low-density expansions, and the ${mathit{r}}_{mathit{s}}$-dependent spin susceptibility. We also present a conjecture for the exact low-density limit. The correlation potential ${mathrm{ensuremath{mu}}}_{mathit{c}}^{mathrm{ensuremath{sigma}}}$(${mathit{r}}_{mathit{s}}$,ensuremath{zeta}) is evaluated for use in self-consistent density-functional calculations." @default.
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- W2049079467 date "1992-06-15" @default.
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- W2049079467 title "Accurate and simple analytic representation of the electron-gas correlation energy" @default.
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- W2049079467 doi "https://doi.org/10.1103/physrevb.45.13244" @default.
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