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Block product density matrix embedding theory for strongly correlated spin systems

Klaas Gunst (UGent) , Sebastian Wouters (UGent) , Stijn De Baerdemacker (UGent) and Dimitri Van Neck (UGent)
(2017) PHYSICAL REVIEW B. 95(19).
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Abstract
Density matrix embedding theory (DMET) is a relatively new technique for the calculation of strongly correlated systems. Recently, block product DMET (BPDMET) was introduced for the study of spin systems such as the antiferromagnetic J1−J2 model on the square lattice. In this paper, we extend the variational Ansatz of BPDMET using spin-state optimization, yielding improved results. We apply the same techniques to the Kitaev-Heisenberg model on the honeycomb lattice, comparing the results when using several types of clusters. Energy profiles and correlation functions are investigated. A diagonalization in the tangent space of the variational approach yields information on the excited states and the corresponding spectral functions.
Keywords
QUANTUM RENORMALIZATION-GROUPS, HEISENBERG-MODEL, GROUND-STATE, ANTIFERROMAGNETS, ENTANGLEMENT, DIMENSIONS, CHEMISTRY, LATTICE, LIMIT

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Chicago
Gunst, Klaas, Sebastian Wouters, Stijn De Baerdemacker, and Dimitri Van Neck. 2017. “Block Product Density Matrix Embedding Theory for Strongly Correlated Spin Systems.” Physical Review B 95 (19).
APA
Gunst, K., Wouters, S., De Baerdemacker, S., & Van Neck, D. (2017). Block product density matrix embedding theory for strongly correlated spin systems. PHYSICAL REVIEW B, 95(19).
Vancouver
1.
Gunst K, Wouters S, De Baerdemacker S, Van Neck D. Block product density matrix embedding theory for strongly correlated spin systems. PHYSICAL REVIEW B. 2017;95(19).
MLA
Gunst, Klaas, Sebastian Wouters, Stijn De Baerdemacker, et al. “Block Product Density Matrix Embedding Theory for Strongly Correlated Spin Systems.” PHYSICAL REVIEW B 95.19 (2017): n. pag. Print.
@article{8532327,
  abstract     = {Density matrix embedding theory (DMET) is a relatively new technique for the calculation of strongly correlated systems. Recently, block product DMET (BPDMET) was introduced for the study of spin systems such as the antiferromagnetic J1\ensuremath{-}J2 model on the square lattice. In this paper, we extend the variational Ansatz of BPDMET using spin-state optimization, yielding improved results. We apply the same techniques to the Kitaev-Heisenberg model on the honeycomb lattice, comparing the results when using several types of clusters. Energy profiles and correlation functions are investigated. A diagonalization in the tangent space of the variational approach yields information on the excited states and the corresponding spectral functions.},
  articleno    = {195127},
  author       = {Gunst, Klaas and Wouters, Sebastian and De Baerdemacker, Stijn and Van Neck, Dimitri},
  issn         = {2469-9950},
  journal      = {PHYSICAL REVIEW B},
  keyword      = {QUANTUM RENORMALIZATION-GROUPS,HEISENBERG-MODEL,GROUND-STATE,ANTIFERROMAGNETS,ENTANGLEMENT,DIMENSIONS,CHEMISTRY,LATTICE,LIMIT},
  language     = {eng},
  number       = {19},
  pages        = {12},
  title        = {Block product density matrix embedding theory for strongly correlated spin systems},
  url          = {http://dx.doi.org/10.1103/physrevb.95.195127},
  volume       = {95},
  year         = {2017},
}

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