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

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

Ref.: Int. J. Quantum Chem. 110, 2308 (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.

Citations: 12 (Google scholar)

DOI: 10.1002/qua.22604

URL: arxiv.org, www3.interscience.wiley.com

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Bibtex:

@article{R_s_nen_2010,
	doi = {10.1002/qua.22604},
	url = {https://doi.org/10.1002%2Fqua.22604},
	year = 2010,
	month = {may},
	publisher = {Wiley},
	volume = {110},
	number = {12},
	pages = {2308--2314},
	author = {E. Räsänen and S. Pittalis and J. G. Vilhena and M. A. L. Marques},
	title = {Semi-local density functional for the exchange-correlation energy of electrons in two dimensions},
	journal = {International Journal of Quantum Chemistry}
}