Tuesday, July 31, 2012

1207.6849 (Pierre-François Loos)

High-density correlation energy expansion of the one-dimensional uniform
electron gas
   [PDF]

Pierre-François Loos
We show that the expression of the high-density (i.e small-$r_s$) correlation energy per electron for the one-dimensional uniform electron gas can be obtained by conventional perturbation theory and is of the form $\Ec(r_s) = -\pi^2/360 + 0.00714\,r_s + ...$, where $r_s$ is the average radius of an electron. Combining these new results with the low-density correlation energy expansion and the available diffusion Monte Carlo (DMC) data, we propose a local-density approximation correlation functional, which deviates by a maximum of 0.2 millihartree compared to the benchmark DMC calculations.
View original: http://arxiv.org/abs/1207.6849

No comments:

Post a Comment