Exchange-correlation potentials for inhomogeneous electron systems in two dimensions from exact diagonalization: comparison with the local-spin-density approximation
arXiv:1201.3913 · doi:10.1103/PhysRevB.85.205140
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.
Submitted to Physical Review B on January 3, 2012. Second revised version submitted on April 13, 2012
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