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Ground-State Degeneracies Leave Recognizable Topological Scars in the Electronic Density
2010
Physical Review Letters
In Kohn-Sham density functional theory (KS-DFT) a fictitious system of non-interacting particles is constructed having the same ground-state (GS) density as the physical system of interest. A fundamental open question in DFT concerns the ability of an exact KS calculation to spot and characterize the GS degeneracies in the physical system. In this article we provide theoretical evidence suggesting that the GS density, as a function of position on a 2D manifold of parameters affecting the
doi:10.1103/physrevlett.104.073001
pmid:20366875
fatcat:v4frheyg6vdbrbajltlvreigz4