6533b829fe1ef96bd12896f1
RESEARCH PRODUCT
Semi-local density functional for the exchange-correlation energy of electrons in two dimensions
Miguel A. L. MarquesStefano PittalisJ. G. VilhenaEsa Räsänensubject
PhysicsReference data (financial markets)02 engineering and technologyElectron021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesAtomic and Molecular Physics and OpticsCorrelationSemiconductor quantum dotsQuantum dotQuantum mechanics0103 physical sciencesDensity functional theoryPhysical and Theoretical Chemistry010306 general physics0210 nano-technologyQuantumEnergy (signal processing)description
We present a practical and accurate density functional for the exchange-correlation energy of electrons in two dimensions. The exchange part is based on a recent two-dimensional generalized-gradient approximation derived by considering the limits of small and large density gradients. The fully local correlation part is constructed following the Colle-Salvetti scheme and a Gaussian approximation for the pair density. The combination of these expressions is shown to provide an efficient density functional to calculate the total energies of two-dimensional electron systems such as semiconductor quantum dots. Excellent performance of the functional with respect to numerically exact reference data for quantum dots is demonstrated. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem 110: 2308-2314, 2010
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2010-05-12 | International Journal of Quantum Chemistry |