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Article overview
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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 | Abstract: | Implicit 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 | Services: | Forum | Review | PDF | Favorites |
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