Continuous-time Monte Carlo methods for quantum impurity models

Emanuel Gull, Andrew J. Millis, A. I. Lichtenstein, A. N. Rubtsov, Matthias Troyer, Philipp Werner

Reviews of Modern Physics · 2011 · 1.6K citations · 209 references

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Concepts

Abstract

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.

References

209