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Springer series in solid-state sciences

Fermionic and Continuous Time Quantum Monte Carlo

Emanuel Gull, Matthias Troyer

Published Jan 1, 2013• 1 citation
Publisher
DOI
10.1007/978-3-642-35106-8_11

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Efficient continuous-time quantum Monte Carlo (CT-QMC) algorithms that do not suffer from time discretization errors have become the state of the art for most discrete quantum models. They have not been widely used yet for fermionic quantum lattice models, such as the Hubbard model, nor other fermionic lattice systems due to a suboptimal scaling of $O({\ensuremath{\beta}}^{3})$ with inverse temperature $\ensuremath{\beta}$, compared to the linear scaling of discrete-time algorithms. Here we present a CT-QMC algorithm for fermionic lattice systems that matches the scaling of discrete-time methods but is more efficient and free of time discretization errors. This provides an efficient simulation scheme that is free from the systematic errors opening an avenue to more precise studies of large systems at low and zero temperature.
Two weak-coupling continuous time quantum Monte Carlo (CTQMC) methods are shown to be equivalent for Hubbard-type interactions. A relation between these CTQMC methods and the Hirsch-Fye quantum Monte Carlo (HFQMC) method is established, identifying the latter as an approximation within CTQMC and providing a diagrammatic interpretation. Both HFQMC and CTQMC are shown to be equivalent when the number of time slices in HFQMC becomes infinite, implying the same degree of fermion sign problem in this limit.