TY - JOUR
T1 - Semiclassical approximation solved by Monte Carlo integration as an efficient impurity solver for dynamical mean field theory and its cluster extensions
AU - Lee, Hunpyo
AU - Zhang, Yu Zhong
AU - Lee, Hoonkyung
AU - Kwon, Yongkyung
AU - Jeschke, Harald O.
AU - Valentí, Roser
PY - 2013/10/18
Y1 - 2013/10/18
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevB.88.165126
DO - 10.1103/PhysRevB.88.165126
M3 - Article
AN - SCOPUS:84887077797
VL - 88
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 16
M1 - 165126
ER -