期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 14, 期 24, 页码 8581-8590出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2cp24118h
关键词
-
资金
- DOE [DE-FG02-08ER46496]
- NSF [DMR-0907500]
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.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据