Correlation energy of two-dimensional systems: Toward non-empirical and universal modeling
Abstract
The capability of density-functional theory to deal with the ground-state of strongly correlated low-dimensional systems, such as semiconductor quantum dots, depends on the accuracy of functionals developed for the exchange and correlation energies. Here we extend a successful approximation for the correlation energy of the three dimensional inhomogeneous electron gas, originally introduced by Becke [J. Chem. Phys. {\bf 88}, 1053 (1988)], to the two-dimensional case. The approach aims to non-empirical modeling of the correlation-hole functions satisfying a set of exact properties. Furthermore, the electron current and spin are explicitly taken into account. As a result, good performance is obtained in comparison with numerically exact data for quantum dots with varying external magnetic field, and for the homogeneous two-dimensional electron gas, respectively.
Cite
@article{arxiv.0810.4283,
title = {Correlation energy of two-dimensional systems: Toward non-empirical and universal modeling},
author = {S. Pittalis and E. Rasanen and C. Proetto and E. K. U. Gross},
journal= {arXiv preprint arXiv:0810.4283},
year = {2009}
}