Semiclassical approximation solved by Monte Carlo integration as an efficient impurity solver for dynamical mean field theory and its cluster extensions

Hunpyo Lee, Yu Zhong Zhang, Hoonkyung Lee, Yongkyung Kwon, Harald Olaf Jeschke, Roser Valentí

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

We propose that a combination of the semiclassical approximation with Monte Carlo simulations can be an efficient and reliable impurity solver for dynamical mean field theory equations and their cluster extensions with large cluster sizes. In order to show the reliability of the method, we consider two test cases: (i) the single-band Hubbard model within the dynamical cluster approximation with four- and eight-site clusters and (ii) the anisotropic two-orbital Hubbard model with orbitals of different bandwidth within the single-site dynamical mean field theory. We compare the critical interaction Uc/t with those obtained from solving the dynamical mean field equations with the continuous-time and Hirsch-Fye quantum Monte Carlo approaches. In both test cases we observe reasonable values of the metal-insulator critical interaction strength Uc/t and the nature of Mott physics in the self-energy behavior. While some details of the spectral functions cannot be captured by the semiclassical approximation due to the freezing of dynamical fluctuations, the main features are reproduced by the approach.

Original languageEnglish
Article number165126
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume88
Issue number16
DOIs
Publication statusPublished - Oct 18 2013
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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