One-dimensional Continuum Electronic Structure with the Density Matrix Renormalization Group and Its Implications For Density Functional Theory
Strongly Correlated Electrons
2012-08-06 v3 Atomic and Molecular Clusters
Chemical Physics
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.
Cite
@article{arxiv.1107.2394,
title = {One-dimensional Continuum Electronic Structure with the Density Matrix Renormalization Group and Its Implications For Density Functional Theory},
author = {E. M. Stoudenmire and Lucas O. Wagner and Steven R. White and Kieron Burke},
journal= {arXiv preprint arXiv:1107.2394},
year = {2012}
}
Comments
5 pages, 4 figures. Published version, including new section on exact Kohn-Sham gap of a Mott insulator