2018 | 2017 | 2016 | 2015 | 2014 | 2013 | 2012 | 2011 | 2010 | 2009 | 2008

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

Authors: E. Rasanen, S. Pittalis, J.G. Vilhena, Miguel A.L. Marques

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

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.

URL: arxiv.org