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arxiv: 1804.04938 · v3 · pith:KIT5SA7Fnew · submitted 2018-04-13 · ❄️ cond-mat.str-el · physics.comp-ph

Correlation energies of the high-density spin-polarized electron gas to meV accuracy

classification ❄️ cond-mat.str-el physics.comp-ph
keywords correlationelectronaccuracyenergypolarizedcalculatecarlocharacterized
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We present a novel combination of quantum Monte Carlo methods and a finite size extrapolation framework with which we calculate the thermodynamic limit of the exact correlation energy of the polarized electron gas at high densities to meV accuracy, $-40.44(5)$ and $-31.70(4)$ mHa at $r_{\rm s}=0.5$ and $1$, respectively. The fixed-node error is characterized and found to exceed $1$ mHa, and we show that the magnitude of the correlation energy of the polarized electron gas is underestimated by up to $6$ meV by the Perdew-Wang parametrization, for which we suggest improvements.

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