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arXiv · 1107.2394

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·Kieron Burke
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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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E. M. Stoudenmire, Lucas O. Wagner, Steven R. White, Kieron Burke. 2011-07-12. One-dimensional Continuum Electronic Structure with the Density Matrix Renormalization Group and Its Implications For Density Functional Theory. https://doi.org/10.1103/physrevlett.109.056402

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