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

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

2010-01-20

arxiv.org/abs/1001.3660v1

Int. J. Quantum Chem. 110, 2308 (2010)

Physics

Condensed Matter

Strongly Correlated Electrons

to appear in Int. J. Quantum Chem. (2010)

Scientific paper

10.1002/qua.22604

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.

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