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

被引:78
|
作者
Stoudenmire, E. M. [1 ]
Wagner, Lucas O. [1 ]
White, Steven R. [1 ]
Burke, Kieron [1 ,2 ]
机构
[1] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA
[2] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA
关键词
CORRELATED SYSTEMS;
D O I
10.1103/PhysRevLett.109.056402
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
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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页数:5
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