Correlation energy of two-dimensional systems: Toward non-empirical and universal modeling

Details Correlation energy of two-dimensional systems: Toward non-empirical and universal modeling Correlation energy of two-dimensional systems: Toward non-empirical and universal modeling

2008-10-23

arxiv.org/abs/0810.4283v2

Phys. Rev. B 79, 085316 (2009)

Physics

Condensed Matter

Strongly Correlated Electrons

Scientific paper

10.1103/PhysRevB.79.085316

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.

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