4.7 Article

Projected density matrix embedding theory with applications to the two-dimensional Hubbard model

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 151, 期 6, 页码 -

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AIP Publishing
DOI: 10.1063/1.5108818

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资金

  1. Air Force Office of Scientific Research [FA9550-18-1-0095]
  2. Department of Energy [DE-SC0017867]
  3. Department of Energy CAMERA program
  4. National Science Foundation Graduate Research Fellowship Program [DGE-1106400]

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Density matrix embedding theory (DMET) is a quantum embedding theory for strongly correlated systems. From a computational perspective, one bottleneck in DMET is the optimization of the correlation potential to achieve self-consistency, especially for heterogeneous systems of large size. We propose a new method, called projected DMET (p-DMET), which achieves self-consistency without needing to optimize the correlation potential. We demonstrate the performance of p-DMET on the two-dimensional Hubbard model. Published under license by AIP Publishing.

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