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

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

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. To demonstrate the power of this approach, we find the exact ground state of a chain of 100 strongly correlated artificial hydrogen atoms. We expect this method to be important for simulating 1d cold atom systems and for studying density functional theory (DFT) in an exact setting. Not only can we compare DFT approximations with exact results, but we can implement the exact density functional.

DOI link

Reference:

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 (2012).

Bibtex Entry:

@article{SWWB12,
	Pub-num = {133},
	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. To demonstrate the power of this approach, we find the exact ground state of a chain of 100 strongly correlated artificial hydrogen atoms. We expect this method to be important for simulating 1d cold atom systems and for studying density functional
theory (DFT) in an exact setting. Not only can we compare DFT approximations with exact results, but we can implement the exact density functional.},
	Author = {E.M. Stoudenmire and Lucas O. Wagner and Steven R. White and Kieron Burke},
	Date-Modified = {2013-02-12 00:16:04 +0000},
	Doi = {10.1103/PhysRevLett.109.056402},
	Journal = {Phys. Rev. Lett.},
	Month = {08/2012},
	Pages = {056402},
	Title = {One-Dimensional Continuum Electronic Structure with the Density-Matrix Renormalization Group and Its Implications for Density-Functional Theory},
	Url = {http://link.aps.org/doi/10.1103/PhysRevLett.109.056402},
	Volume = {109},
	Year = {2012},
	Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.109.056402},
	Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.109.056402},
	keywords = {DMRGDFT}
	}