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Article overview
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Laplacian-level density functionals for the exchange-correlation energy of low-dimensional nanostructures | S. Pittalis
; E. Rasanen
; | Date: |
22 Sep 2010 | Abstract: | In modeling low-dimensional electronic nanostructures, the evaluation of the
electron-electron interaction is a challenging task. Here we present an
accurate and practical density-functional approach to the two-dimensional
many-electron problem. In particular, we show that spin-density functionals in
the class of meta-generalized-gradient approximations can be greatly simplified
by reducing the explicit dependence on the Kohn-Sham orbitals to the dependence
on the electron spin density and its spatial derivatives. Tests on various
quantum-dot systems show that the overall accuracy is well preserved, if not
even improved, by the modifications. | Source: | arXiv, 1009.4292 | Services: | Forum | Review | PDF | Favorites |
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