Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 14, Issue 24, Pages 8581-8590Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2cp24118h
Keywords
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Funding
- DOE [DE-FG02-08ER46496]
- NSF [DMR-0907500]
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Large strongly correlated systems provide a challenge to modern electronic structure methods, because standard density functionals usually fail and traditional quantum chemical approaches are too demanding. The density-matrix renormalization group method, an extremely powerful tool for solving such systems, has recently been extended to handle long-range interactions on real-space grids, but is most efficient in one dimension where it can provide essentially arbitrary accuracy. Such 1d systems therefore provide a theoretical laboratory for studying strong correlation and developing density functional approximations to handle strong correlation, if they mimic three-dimensional reality sufficiently closely. We demonstrate that this is the case, and provide reference data for exact and standard approximate methods, for future use in this area.
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