One-dimensional Continuum Electronic Structure with the Density Matrix Renormalization Group and Its Implications For Density Functional Theory

2011/07/31 by E. M. Stoudenmire, Lucas O. Wagner, Steven R. White +1 · 1 citation
Physics and Astronomy · #cond-mat.str-el #physics.atm-clus #physics.chem-ph

paper · pdf · doi:10.1103/physrevlett.109.056402

published as Phys. Rev. Lett. 109, 056402 (2012) · 5 pages, 4 figures. Published version, including new section on exact Kohn-Sham gap of a Mott insulator

arxiv created 2012/08/02 · arxiv updated 2012/08/06

Abstract

We extend the density matrix renormalization group to compute exact ground states of continuum many-electron systems in one dimension with long-range interactions. We find the exact ground state of a chain of 100 strongly correlated artificial hydrogen atoms. The method can be used to simulate 1d cold atom systems and to study density functional theory in an exact setting. To illustrate, we find an interacting, extended system which is an insulator but whose Kohn-Sham system is metallic.

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