Correlation energy of finite two-dimensional systems: Toward nonempirical and universal modeling

S. Pittalis, E. Räsänen, C. R. Proetto, and E. K. U. Gross
Phys. Rev. B 79, 085316 – Published 24 February 2009

Abstract

The capability of density-functional theory to deal with the ground state of strongly correlated low-dimensional systems, such as semiconductor quantum dots, depends on the accuracy of functionals developed for the exchange and correlation energies. Here we extend a successful approximation for the correlation energy of the three-dimensional inhomogeneous electron gas, originally introduced by Becke [J. Chem. Phys. 88, 1053 (1988)], to the two-dimensional case. The approach is based on nonempirical modeling of the correlation-hole functions satisfying a set of exact properties. Furthermore, the electron current and spin are explicitly taken into account. As a result, good performance is obtained in comparison with numerically exact data for quantum dots with varying external magnetic field, and for the homogeneous two-dimensional electron gas, respectively.

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  • Received 23 October 2008

DOI:https://doi.org/10.1103/PhysRevB.79.085316

©2009 American Physical Society

Authors & Affiliations

S. Pittalis1,2,*, E. Räsänen1,2,3,†, C. R. Proetto1,2,‡, and E. K. U. Gross1,2

  • 1Institut für Theoretische Physik, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin, Germany
  • 2European Theoretical Spectroscopy Facility (ETSF)
  • 3Nanoscience Center, Department of Physics, University of Jyväskylä, FI-40014 Jyväskylä, Finland

  • *pittalis@physik.fu-berlin.de
  • esa.rasanen@jyu.fi
  • Permanent address: Centro Atómico Bariloche and Instituto Balseiro, 8400 S.C. de Bariloche, Río Negro, Argentina.

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Vol. 79, Iss. 8 — 15 February 2009

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