2012/07/31 by Francesc Malet, Paola Gori-Giorgi · 1 citation
Physics and Astronomy · #cond-mat.str-el #physics.chem-ph
paper · pdf · doi:10.1103/physrevlett.109.246402
published as Phys. Rev. Lett. 109, 246402 (2012) · 5 pages, 4 figures; new version largely rewritten to clarify many points, and with one new figure showing the exchange-correlation potentials. Final version accepted in Phys. Rev. Lett
arxiv created 2012/11/13 · arxiv updated 2012/12/12
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approximate the exchange-correlation energy of the restricted Kohn-Sham scheme. Our approximation corresponds to a highly non-local density functional whose functional derivative can be easily constructed, thus transforming exactly, in a physically transparent way, an important part of the electron-electron interaction into an effective local one-body potential. We test our approach on quasi-one-dimensional systems, showing that it captures essential features of strong correlation that restricted Kohn-Sham calculations using the currently available approximations cannot describe.