6533b824fe1ef96bd1281537
RESEARCH PRODUCT
Laplacian-level density functionals for the exchange-correlation energy of low-dimensional nanostructures
Stefano PittalisEsa Räsänensubject
PhysicsCondensed Matter - Mesoscale and Nanoscale PhysicsStrongly Correlated Electrons (cond-mat.str-el)Orbital-free density functional theoryFOS: Physical sciencesCondensed Matter PhysicsElectron localization functionElectronic Optical and Magnetic MaterialsCondensed Matter - Strongly Correlated ElectronsAtomic orbitalQuantum dotQuantum mechanicsMesoscale and Nanoscale Physics (cond-mat.mes-hall)Density functional theoryStatistical physicsLocal-density approximationLaplace operatorElectronic densitydescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2010-10-26 |