Phys. Rev. B 69, 041103(R) (2004) [4 pages]Spin resolution of the electron-gas correlation energy: Positive same spin contributions
The negative correlation energy εc(rs,ζ) per particle of a uniform electron gas of density parameter rs and spin polarization ζ is well known, but its spin resolution into ↑↓, ↑↑, and ↓↓ 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 ↑ and ↓ contributions to the kinetic energy of correlation. © 2004 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.69.041103
DOI:
10.1103/PhysRevB.69.041103
PACS:
71.10.Ca, 02.70.Ss, 31.25.Eb, 71.15.-m
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