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

S. Pittalis, E. Räsänen, C. R. Proetto, E. K. U. Gross

Research output: Contribution to journalArticleScientificpeer-review

25 Citations (Scopus)

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.

Original languageEnglish
Article number085316
Number of pages6
JournalPhysical Review B
Volume79
Issue number8
DOIs
Publication statusPublished - Feb 2009
Externally publishedYes
Publication typeA1 Journal article-refereed

Keywords

  • density functional theory
  • electron spin polarisation
  • ground states
  • semiconductor quantum dots
  • strongly correlated electron systems
  • two-dimensional electron gas
  • DENSITY-FUNCTIONAL THEORY
  • COORDINATE-SPACE MODEL
  • QUANTUM DOTS
  • ELECTRON-GAS
  • OCTOPUS
  • TOOL

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