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

Accepted version
Peer-reviewed

Type

Article

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Authors

Ruggeri, Michele 
Rios, Pablo Lopez 

Abstract

We present a 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 rs=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.

Description

Keywords

5106 Nuclear and Plasma Physics, 51 Physical Sciences

Journal Title

PHYSICAL REVIEW B

Conference Name

Journal ISSN

2469-9950
2469-9969

Volume Title

98

Publisher

American Physical Society (APS)