6533b7d5fe1ef96bd12648ca

RESEARCH PRODUCT

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

E. RasanenS. PittalisJ. G. VilhenaM. A. L. Marques

subject

Condensed Matter - Strongly Correlated ElectronsStrongly Correlated Electrons (cond-mat.str-el)FOS: Physical sciences

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.

10.1002/qua.22604http://arxiv.org/abs/1001.3660