Physics – Condensed Matter – Other Condensed Matter
Scientific paper
2008-09-03
Phys. Rev. A 79, 032504 (2009)
Physics
Condensed Matter
Other Condensed Matter
4 pages, 2 figures. Accepted by PRA
Scientific paper
10.1103/PhysRevA.79.032504
The mapping, exact or approximate, of a many-body problem onto an effective single-body problem is one of the most widely used conceptual and computational tools of physics. Here, we propose and investigate the inverse map of effective approximate single-particle equations onto the corresponding many-particle system. This approach allows us to understand which interacting system a given single-particle approximation is actually describing, and how far this is from the original physical many-body system. We illustrate the resulting reverse engineering process by means of the Kohn-Sham equations of density-functional theory. In this application, our procedure sheds light on the non-locality of the density-potential mapping of DFT, and on the self-interaction error inherent in approximate density functionals.
Capelle Klaus
Coe Jeremy P.
D'Amico Irene
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