4.6 Article

Hierarchical equations of motion for an impurity solver in dynamical mean-field theory

期刊

PHYSICAL REVIEW B
卷 90, 期 4, 页码 -

出版社

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.90.045141

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资金

  1. National Science Foundation of China [21303175, 21103157, 21033008, 21233007, 11074302, 11374362, 21322305]
  2. Strategic Priority Research Program (B) of the CAS [XDB01020000]
  3. National Program on Key Basic Research Project of China [2012CB921704]
  4. Hong Kong UGC [AoE/P-04/08-2]
  5. RGC [605012]

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A nonperturbative quantum impurity solver is proposed based on a formally exact hierarchical equations of motion (HEOM) formalism for open quantum systems. It leads to quantitatively accurate evaluation of physical properties of strongly correlated electronic systems, in the framework of dynamical mean-field theory (DMFT). The HEOM method is also numerically convenient to achieve the same level of accuracy as that using the state-of-the-art numerical renormalization group impurity solver at finite temperatures. The practicality of the HEOM+DMFT method is demonstrated by its applications to the Hubbard models with Bethe and hypercubic lattice structures. We investigate the metal-insulator transition phenomena, and address the effects of temperature on the properties of strongly correlated lattice systems.

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