Kernel polynomial representation for imaginary-time Green's functions in continuous-time quantum Monte Carlo impurity solver

Li Huang
2016 Chinese Physics B  
Inspired by the recent proposed Legendre orthogonal polynomial representation of imaginary-time Green's functions, we develop an alternate representation for the Green's functions of quantum impurity models and combine it with the hybridization expansion continuous-time quantum Monte Carlo impurity solver. This representation is based on the kernel polynomial method, which introduces various integral kernels to filter fluctuations caused by the explicit truncations of polynomial expansion
more » ... and improve the computational precision significantly. As an illustration of the new representation, we reexamine the imaginary-time Green's functions of single-band Hubbard model in the framework of dynamical mean-field theory. The calculated results suggest that with carefully chosen integral kernels the Gibbs oscillations found in previous orthogonal polynomial representation have been suppressed vastly and remarkable corrections to the measured Green's functions have been obtained.
doi:10.1088/1674-1056/25/11/117101 fatcat:jd27ka5ou5ftjkjwwkmzk2ekgq