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Physical Review B

Bold diagrammatic Monte Carlo: A generic sign-problem tolerant technique for polaron models and possibly interacting many-body problems

Nikolay V. Prokof'ev, Boris V. Svistunov

Published Mar 3, 2008• 202 citations
Publisher

Abstract

We develop a Monte Carlo scheme for sampling series of Feynman diagrams for the proper self-energy, which are self-consistently expressed in terms of renormalized particle propagators. This approach is used to solve the problem of a single spin-down fermion resonantly interacting with the Fermi gas of spin-up particles. Though the original series based on bare propagators are sign alternating and divergent, one can still determine the answer behind them by using two strategies (separately or together): (i) using proper series resummation techniques and (ii) introducing renormalized propagators which are defined in terms of the simulated proper self-energy, i.e., making the entire scheme self-consistent. Our solution is important for understanding the phase diagram and properties of the Bardeen-Cooper-Schrieffer--Bose-Einstein Condensation crossover in the strongly imbalanced regime. On the technical side, we develop a generic sign-problem tolerant method for exact numerical solution of polaron-type models and, possibly, of the interacting many-body Hamiltonians.

DOI
10.1103/physrevb.77.125101

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We develop a Monte Carlo scheme for sampling series of Feynman diagrams for the proper self-energy, which are self-consistently expressed in terms of renormalized particle propagators. This approach is used to solve the problem of a single spin-down fermion resonantly interacting with the Fermi gas of spin-up particles. Though the original series based on bare propagators are sign alternating and divergent, one can still determine the answer behind them by using two strategies (separately or together): (i) using proper series resummation techniques and (ii) introducing renormalized propagators which are defined in terms of the simulated proper self-energy, i.e., making the entire scheme self-consistent. Our solution is important for understanding the phase diagram and properties of the Bardeen-Cooper-Schrieffer--Bose-Einstein Condensation crossover in the strongly imbalanced regime. On the technical side, we develop a generic sign-problem tolerant method for exact numerical solution of polaron-type models and, possibly, of the interacting many-body Hamiltonians.
We develop a Monte Carlo scheme for sampling series of Feynman diagrams for the proper self-energy which are self-consistently expressed in terms of renormalized particle propagators. This approach is used to solve the problem of a single spin-down fermion resonantly interacting with the Fermi gas of spin-up particles. Though the original series based on bare propagators are sign-alternating and divergent one can still determine the answer behind them by using two strategies (separately or together): (i) using proper series re-summation techniques, and (ii) introducing renormalized propagators which are defined in terms of the simulated proper self-energy, i.e. making the entire scheme self-consistent. Our solution is important for understanding the phase diagram and properties of the BCS-BEC crossover in the strongly imbalanced regime. On the technical side, we develop a generic sign-problem tolerant method for exact numerical solution of polaron-type models, and, possibly, of the interacting many-body Hamiltonians.
We use the diagrammatic Monte Carlo approach to solve the problem of a single spin-down fermion resonantly interacting with a Fermi gas of spin-up particles. Our solution is important for understanding the phase diagram and properties of the crossover from the BCS regime to the Bose-Einstein condensate in the strongly imbalanced regime. On the technical side, we develop a generic sign-problem-tolerant method for exact numerical solution of polaron-type models. This is a characteristic example of how Monte Carlo methods can be used to simulate divergent sign-alternating diagrammatic series.
We introduce a Monte Carlo scheme for sampling a bold-line diagrammatic series specifying an unknown function in terms of itself. The range of convergence of this bold(-line) diagrammatic Monte Carlo (BMC) technique is significantly broader than that of a simple iterative scheme for solving integral equations. With the BMC technique, a moderate "sign problem" turns out to be an advantage in terms of the convergence of the process. For an illustrative purpose, we solve the one-particle s-scattering problem. As an important application, we obtain the T matrix for a Fermi polaron (one spin-down particle interacting with the spin-up fermionic sea).
We report on a study of a spin-down impurity strongly coupled to a spin-up Fermi sea (a so-called Fermi polaron) with the diagrammatic Monte-Carlo (DiagMC) technique.Conditions of zero temperature and three dimensions are considered for an ultracold atomic gas with resonant interactions in the zero-range limit.A Feynman diagrammatic series is developed for the one-body and two-body propagators providing information about the polaron and molecule channel respectively.The DiagMC technique allows us to reach diagram orders that are high enough for extrapolation to infinite order.The robustness of the extracted results is examined by checking various resummation techniques and by running the simulations with various choices for the propagators and vertex functions.It turns out that dressing the lines in the diagrams as much as possible is not always the optimal choice.We also identify classes of dominant diagrams for the one-body and two-body self-energy in the region of strong interaction.These dominant diagrams turn out to be the leading processes of the strong-coupling limit.The quasiparticle energies and Z-factor are obtained as a function of the interaction strength.We find that the DiagMC results for the molecule and polaron properties are very similar to those obtained with a variational ansatz.Surprisingly, this variational ansatz gives very good predictions for the quasiparticle residue even when this residue is significantly smaller than one.
The Fermi polaron is a quasiparticle that emerges when a mobile impurity is coupled to an ideal Fermi gas through a short-range interaction. Here, the authors introduce a simple Monte Carlo algorithm to compute its ground-state properties by evaluating the Feynman diagrammatic series. The fermionic sign does not cause any fundamental problem when going to high diagrammatic orders, and order NNN=30 is easily reached. Resummation of the divergent series through a conformal mapping yields the polaron energy with record accuracy.
These notes are intended as a detailed discussion on how to implement the diagrammatic Monte Carlo method for a physical system which is technically simple and where it works extremely well, namely the Fröhlich polaron problem. Sampling schemes for the Green function as well as the self-energy in the bare and skeleton (bold) expansion are disclosed in full detail. We discuss the Monte Carlo updates, possible implementations in terms of common data structures, as well as techniques on how to perform the Fourier transforms for functions with discontinuities. Control over the variety of parameters, especially in the bold scheme, is demonstrated. Sample codes are made available online along with extensive documentation. Towards the end, we discuss various extensions of the method and their applications. After working through these notes, the reader will be well equipped to explore the richness of the diagrammatic Monte Carlo method for quantum many-body systems.