Reviews of Modern Physics · 2011 · 1.6K citations · 209 references
Natural SciencesMaterials SciencePhysicsComputational PhysicsCondensed Matter PhysicsMaterials PhysicsComputational Quantum MechanicsCondensed Matter SimulationsMonte Carlo MethodsMonte Carlo SimulationQuantum SimulationStrongly Correlated Electron SystemsCorrelation FunctionsDynamical Mean-field TheoryMean-field ApproximationQuantum Monte Carlo Algorithms
Quantum impurity models describe an atom or molecule embedded in a host material with which it can exchange electrons. They are basic to nanoscience as representations of quantum dots and molecular conductors and play an increasingly important role in the theory of ``correlated electron'' materials as auxiliary problems whose solution gives the ``dynamical mean-field'' approximation to the self-energy and local correlation functions. These applications require a method of solution which provides access to both high and low energy scales and is effective for wide classes of physically realistic models. The continuous-time quantum Monte Carlo algorithms reviewed in this article meet this challenge. Derivations and descriptions of the algorithms are presented in enough detail to allow other workers to write their own implementations, discuss the strengths and weaknesses of the methods, summarize the problems to which the new methods have been successfully applied, and outline prospects for future applications.
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Equation of State Calculations by Fast Computing Machines
N. Metropolis, Arianna W. Rosenbluth, M. N. Rosenbluth et al. · The Journal of Chemical Physics · 1953 · 37.1K citations
Monte Carlo sampling methods using Markov chains and their applications
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