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.
Keywords
Cite
@article{arxiv.1001.3660,
title = {Semi-local density functional for the exchange-correlation energy of electrons in two dimensions},
author = {E. Rasanen and S. Pittalis and J. G. Vilhena and M. A. L. Marques},
journal= {arXiv preprint arXiv:1001.3660},
year = {2010}
}
Comments
to appear in Int. J. Quantum Chem. (2010)