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Paper detail

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

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.

preprint2012arXivOpen access
Ilja MakkonenMikko M. ErvastiVille KauppilaAri Harju
cond-mat.mes-hall
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Ilja MakkonenMikko M. ErvastiVille KauppilaAri Harju

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