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Two‐dimensional electron gas: Correlation energy versus density and spin polarization
Author(s) -
GoriGiorgi Paola,
Attaccalite Claudio,
Moroni Saverio,
Bachelet Giovanni B.
Publication year - 2002
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.10416
Subject(s) - fermi gas , parametrization (atmospheric modeling) , spin polarization , polarization (electrochemistry) , electron , physics , monte carlo method , spin (aerodynamics) , diffusion monte carlo , electron localization function , electron density , statistical physics , spin density , chemistry , quantum mechanics , condensed matter physics , monte carlo molecular modeling , thermodynamics , mathematics , markov chain monte carlo , statistics , radiative transfer
We propose a simple analytic representation of the correlation energy ϵ c for the two‐dimensional electron gas, as a function of the density parameter r s and the spin polarization ζ. This new parametrization includes most of the known high‐ and low‐density limits and fits our new fixed‐node diffusion Monte Carlo simulations, performed for a wide range of electron densities (1 ≤ r s ≤ 40) and spin‐polarization states (0 ≤ ζ ≤ 1). In this way we provide a reliable local‐spin‐density energy functional for two‐dimensional systems. The corresponding correlation potential is discussed and compared with previous models. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2003