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Spin Resolution of the Electron-Gas Correlation Energy: Positive same-spin contribution

Paola Gori-Giorgi·John P. Perdew
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Abstract

The negative correlation energy per particle of a uniform electron gas of density parameter $r_s$ and spin polarization $ζ$ is well known, but its spin resolution into up-down, up-up, and down-down contributions is not. Widely-used estimates are incorrect, and hamper the development of reliable density functionals and pair distribution functions. For the spin resolution, we present interpolations between high- and low-density limits that agree with available Quantum Monte Carlo data. In the low-density limit for $ζ= 0$, we find that the same-spin correlation energy is unexpectedly positive, and we explain why. We also estimate the up and down contributions to the kinetic energy of correlation.

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Paola Gori-Giorgi, John P. Perdew. 2003-11-12. Spin Resolution of the Electron-Gas Correlation Energy: Positive same-spin contribution. https://doi.org/10.1103/physrevb.69.041103

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