6533b7d1fe1ef96bd125cefb

RESEARCH PRODUCT

Efficiency of quantum Monte Carlo impurity solvers for dynamical mean-field theory

N. Blümer

subject

Condensed Matter::Quantum GasesPhysicsStrongly Correlated Electrons (cond-mat.str-el)DiscretizationQuantum Monte CarloExtrapolationFOS: Physical sciencesCondensed Matter PhysicsDiscretization errorElectronic Optical and Magnetic MaterialsCondensed Matter - Strongly Correlated ElectronsDynamical mean field theoryImpurityDynamic Monte Carlo methodCondensed Matter::Strongly Correlated ElectronsStrongly correlated materialStatistical physics

description

Since the inception of the dynamical mean-field theory, numerous numerical studies have relied on the Hirsch-Fye quantum Monte Carlo (HF-QMC) method for solving the associated impurity problem. Recently developed continuous-time algorithms (CT-QMC) avoid the Trotter discretization error and allow for faster configuration updates, which makes them candidates for replacing HF-QMC. We demonstrate, however, that a state-of-the-art implementation of HF-QMC (with extrapolation of discretization delta_tau -> 0) is competitive with CT-QMC. A quantitative analysis of Trotter errors in HF-QMC estimates and of appropriate delta_tau values is included.

10.1103/physrevb.76.205120http://arxiv.org/abs/0708.1749