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

E. M. Stoudenmire, Lucas O. Wagner, Steven R. White, and Kieron Burke
Phys. Rev. Lett. 109, 056402 – Published 1 August 2012

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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  • Received 12 July 2011

DOI:https://doi.org/10.1103/PhysRevLett.109.056402

© 2012 American Physical Society

Authors & Affiliations

E. M. Stoudenmire, Lucas O. Wagner, Steven R. White, and Kieron Burke*

  • Department of Physics and Astronomy, University of California, Irvine, California 92697, USA

  • *Also at Department of Chemistry, University of California, Irvine, CA 92697, USA.

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Vol. 109, Iss. 5 — 3 August 2012

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