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

Authors
Ruggeri, Michele 
Rios, Pablo Lopez 

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Type
Article
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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.

Publication Date
2018
Online Publication Date
2018-10-08
Acceptance Date
Keywords
5106 Nuclear and Plasma Physics, 51 Physical Sciences
Journal Title
PHYSICAL REVIEW B
Journal ISSN
2469-9950
2469-9969
Volume Title
98
Publisher
American Physical Society (APS)