Lower Bounds on the Exchange-Correlation Energy in Reduced Dimensions

E. Räsänen, S. Pittalis, K. Capelle, C. R. Proetto

Research output: Contribution to journalArticleScientificpeer-review

37 Citations (Scopus)

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.

Original languageEnglish
Article number206406
Number of pages4
JournalPhysical Review Letters
Volume102
Issue number20
DOIs
Publication statusPublished - 22 May 2009
Externally publishedYes
Publication typeA1 Journal article-refereed

Keywords

  • GENERALIZED GRADIENT APPROXIMATION
  • DENSITY-FUNCTIONAL THEORY
  • QUANTUM DOTS
  • OCTOPUS
  • TOOL

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