Semi-local density functional for the exchange-correlation energy of electrons in two dimensions - Condensed Matter > Strongly Correlated ElectronsReportar como inadecuado




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Abstract: We present a practical and accurate density functional for theexchange-correlation energy of electrons in two dimensions. The exchange partis based on a recent two-dimensional generalized-gradient approximation derivedby considering the limits of small and large density gradients. The fully localcorrelation part is constructed following the Colle-Salvetti scheme and aGaussian approximation for the pair density. The combination of theseexpressions is shown to provide an efficient density functional to calculatethe total energies of two-dimensional electron systems such as semiconductorquantum dots. Excellent performance of the functional with respect tonumerically exact reference data for quantum dots is demonstrated.



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

Fuente: https://arxiv.org/



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