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Finite-temperature density matrix embedding theory

  • Chong Sun
  • , Ushnish Ray
  • , Zhi Hao Cui
  • , Miles Stoudenmire
  • , Michel Ferrero
  • , Garnet Kin Lic Chan

Résultats de recherche: Contribution à un journalArticleRevue par des pairs

Résumé

We describe a formulation of the density matrix embedding theory at finite temperature. We present a generalization of the ground-state bath orbital construction that embeds a mean-field finite-temperature density matrix up to a given order in the Hamiltonian, or the Hamiltonian up to a given order in the density matrix. We assess the performance of the finite-temperature density matrix embedding on the one-dimensional Hubbard model both at half-filling and away from it, and the two-dimensional Hubbard model at half-filling, comparing to exact data where available, as well as results from finite-temperature density matrix renormalization group, dynamical mean-field theory, and dynamical cluster approximations. The accuracy of finite-temperature density matrix embedding appears comparable to that of the ground-state theory, with, at most, a modest increase in bath size, and competitive with that of cluster dynamical mean-field theory.

langue originaleAnglais
Numéro d'article075131
journalPhysical Review B
Volume101
Numéro de publication7
Les DOIs
étatPublié - 15 févr. 2020

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