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

E. Räsänen, S. Pittalis, J. Vilhena, M. Marques

International Journal of Quantum Chemistry, 110, 2308–2314, (2010)

DOI: 10.1002/qua.22604

Download: BibTEX

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.

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{"type":"article", "name":"e.räsänen201010", "author":"E. Räsänen and S. Pittalis and J. Vilhena and M. Marques", "title":"Semilocal density functional for the exchangecorrelation energy of electrons in two dimensions", "journal":"International Journal of Quantum Chemistry", "volume":"110", "OPTnumber":"12", "OPTmonth":"10", "year":"2010", "OPTpages":"2308–2314", "OPTnote":"", "OPTkey":"", "DOI":"10.1002/qua.22604"}
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