Parameter-free density functional for the correlation energy in two dimensions

Details Parameter-free density functional for the correlation energy in two dimensions Parameter-free density functional for the correlation energy in two dimensions

2010-02-19

arxiv.org/abs/1002.3677v2

Phys. Rev. B 81, 195103 (2010)

Physics

Condensed Matter

Strongly Correlated Electrons

Scientific paper

10.1103/PhysRevB.81.195103

Accurate treatment of the electronic correlation in inhomogeneous electronic systems, combined with the ability to capture the correlation energy of the homogeneous electron gas, allows to reach high predictive power in the application of density-functional theory. For two-dimensional systems we can achieve this goal by generalizing our previous approximation [Phys. Rev. B 79, 085316 (2009)] to a parameter-free form, which reproduces the correlation energy of the homogeneous gas while preserving the ability to deal with inhomogeneous systems. The resulting functional is shown to be very accurate for finite systems with an arbitrary number of electrons with respect to numerically exact reference data.

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