Semi-local density functional for the exchange-correlation energy of electrons in two dimensions

Abstract

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.

arXiv commentto appear in Int. J. Quantum Chem. (2010)

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Cited by in corpus (7)

• Ab initio computation of circular quantum dots
• Leading gradient correction to the kinetic energy for two-dimensional fermion gases
• Airy-averaged gradient corrections for two-dimensional fermion gases
• Semi-local Exchange Energy Functional For Two-Dimensional Quantum Systems: A Step Beyond Generalized Gradient Approximations
• First-principles quantum corrections for carrier correlations in double-layer two-dimensional heterostructures
• Colle-Salvetti-type local density functional for the exchange-correlation energy in two dimensions
• Inhomogeneity Induced and Appropriately Parameterized Semilocal Exchange and Correlation Energy Functionals in Two-Dimensions