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27 April 2024
 
  » arxiv » 0710.0718

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Exchange-energy functionals for finite two-dimensional system
S. Pittalis ; E. Rasanen ; N. Helbig ; E. K. U. Gro ;
Date 3 Oct 2007
AbstractImplicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel [Phys. Rev. A {f 39}, 3761 (1989)]. Excellent agreement for the exchange-hole potentials and exchange energies is found when compared with the exact-exchange reference data for the two-dimensional uniform electron gas and few-electron quantum dots, respectively. Thereby, this work significantly improves the availability of approximate density functionals for dealing with quasi-two-dimensional structures, which have various applications in semiconductor nanotechnology.
Source arXiv, 0710.0718
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