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arXiv · 1201.3913

Exchange-correlation potentials for inhomogeneous electron systems in two dimensions from exact diagonalization: comparison with the local-spin-density approximation

Ilja Makkonen·Mikko M. Ervasti·Ville Kauppila·Ari Harju
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Abstract

We consider electronic exchange and correlation effects in density-functional calculations of two-dimensional systems. Starting from wave function calculations of total energies and electron densities of inhomogeneous model systems, we derive corresponding exchange-correlation potentials and energies. We compare these with predictions of the local-spin-density approximation and discuss its accuracy. Our data will be useful as reference data in testing, comparing and parametrizing exchange and correlation functionals for two-dimensional electronic systems.

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Ilja Makkonen, Mikko M. Ervasti, Ville Kauppila, Ari Harju. 2012-01-17. Exchange-correlation potentials for inhomogeneous electron systems in two dimensions from exact diagonalization: comparison with the local-spin-density approximation. https://doi.org/10.1103/physrevb.85.205140

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