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

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

2003-05-12

arxiv.org/abs/cond-mat/0305250v3

Phys. Rev. B 69, 041103(R) (2004)

Physics

Condensed Matter

new version, to appear in PRB Rapid Communication

Scientific paper

10.1103/PhysRevB.69.041103

The negative correlation energy per particle of a uniform electron gas of density parameter $r_s$ and spin polarization $\zeta$ 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 $\zeta = 0$, 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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