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

Publication ,  Journal Article
Wu, X; Cui, ZH; Tong, Y; Lindsey, M; Chan, GKL; Lin, L
Published in: Journal of Chemical Physics
August 14, 2019

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.

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Published In

Journal of Chemical Physics

DOI

ISSN

0021-9606

Publication Date

August 14, 2019

Volume

151

Issue

6

Related Subject Headings

  • Chemical Physics
  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences
 

Citation

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Wu, X., Cui, Z. H., Tong, Y., Lindsey, M., Chan, G. K. L., & Lin, L. (2019). Projected density matrix embedding theory with applications to the two-dimensional Hubbard model. Journal of Chemical Physics, 151(6). https://doi.org/10.1063/1.5108818
Wu, X., Z. H. Cui, Y. Tong, M. Lindsey, G. K. L. Chan, and L. Lin. “Projected density matrix embedding theory with applications to the two-dimensional Hubbard model.” Journal of Chemical Physics 151, no. 6 (August 14, 2019). https://doi.org/10.1063/1.5108818.
Wu X, Cui ZH, Tong Y, Lindsey M, Chan GKL, Lin L. Projected density matrix embedding theory with applications to the two-dimensional Hubbard model. Journal of Chemical Physics. 2019 Aug 14;151(6).
Wu, X., et al. “Projected density matrix embedding theory with applications to the two-dimensional Hubbard model.” Journal of Chemical Physics, vol. 151, no. 6, Aug. 2019. Scopus, doi:10.1063/1.5108818.
Wu X, Cui ZH, Tong Y, Lindsey M, Chan GKL, Lin L. Projected density matrix embedding theory with applications to the two-dimensional Hubbard model. Journal of Chemical Physics. 2019 Aug 14;151(6).

Published In

Journal of Chemical Physics

DOI

ISSN

0021-9606

Publication Date

August 14, 2019

Volume

151

Issue

6

Related Subject Headings

  • Chemical Physics
  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences