Two‐dimensional electron gas: Correlation energy versus density and spin polarization | Zendy

GoriGiorgi Paola | Zendy; Attaccalite Claudio | Zendy; Moroni Saverio | Zendy; Bachelet Giovanni B. | Zendy

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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

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