Lower Bounds on the Exchange-Correlation Energy in Reduced Dimensions

E. Räsänen, S. Pittalis, K. Capelle, and C. R. Proetto
Phys. Rev. Lett. 102, 206406 – Published 20 May 2009

Abstract

Bounds on the exchange-correlation energy of many-electron systems are derived and tested. By using universal scaling properties of the electron-electron interaction, we obtain the exponent of the bounds in three, two, one, and quasione dimensions. From the properties of the electron gas in the dilute regime, the tightest estimate to date is given for the numerical prefactor of the bound, which is crucial in practical applications. Numerical tests on various low-dimensional systems are in line with the bounds obtained and give evidence of an interesting dimensional crossover between two and one dimensions.

  • Figure
  • Figure
  • Received 6 February 2009

DOI:https://doi.org/10.1103/PhysRevLett.102.206406

©2009 American Physical Society

Authors & Affiliations

E. Räsänen1,2,3, S. Pittalis2,3, K. Capelle2,4, and C. R. Proetto2,3,*

  • 1Nanoscience Center, Department of Physics, University of Jyväskylä, FI-40014 Jyväskylä, Finland
  • 2Institut für Theoretische Physik, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin, Germany
  • 3European Theoretical Spectroscopy Facility (ETSF)
  • 4Departamento de Física e Informática, Instituto de Física de São Carlos, Universidade de São Paulo, Caixa Postal 369, São Carlos, São Paulo 13560-970, Brazil

  • *Permanent address: Centro Atómico Bariloche and Instituto Balseiro, 8400 S. C. de Bariloche, Río Negro, Argentina.

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 102, Iss. 20 — 22 May 2009

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review Letters

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×