Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 22, Issue 6, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/22/6/065501
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Funding
- Basque Government [GIC07IT36607]
- Spanish Ministerio de Educacion y Ciencia [FIS2006-01343, CSD2006-53]
- National Plan of Scientific Research, Development and Innovation-Fondo Social Europeo, MCyT
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We report variational and diffusion quantum Monte Carlo ground-state energies of the three-dimensional electron gas using a model periodic Coulomb interaction and backflow corrections for N = 54, 102, 178, and 226 electrons. We remove finite-size effects by extrapolation and we find lower energies than previously reported. Using the Hellman-Feynman operator sampling method introduced in Gaudoin and Pitarke (2007 Phys. Rev. Lett. 99 126406), we compute accurately, within the fixed-node approximation, the separate kinetic and interaction contributions to the total ground-state energy. The difference between the interaction energies obtained from the original Slater-determinant nodes and the backflow-displaced nodes is found to be considerably larger than the difference between the corresponding kinetic energies.
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