4 research outputs found
Spin Resolution of the Electron-Gas Correlation Energy: Positive same-spin contribution
The negative correlation energy per particle of a uniform electron gas of
density parameter and spin polarization 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 ,
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.Comment: new version, to appear in PRB Rapid Communicatio