Spin Resolution of the Electron-Gas Correlation Energy: Positive same-spin contribution
Condensed Matter
2009-11-10 v3
Abstract
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.
Cite
@article{arxiv.cond-mat/0305250,
title = {Spin Resolution of the Electron-Gas Correlation Energy: Positive same-spin contribution},
author = {Paola Gori-Giorgi and John P. Perdew},
journal= {arXiv preprint arXiv:cond-mat/0305250},
year = {2009}
}
Comments
new version, to appear in PRB Rapid Communication