Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:2311.17839 · Physical review. B./Physical review. B

Diagrammatic Monte Carlo for dissipative quantum impurity models

Matthieu Vanhoecke, Marco Schirò

Published Mar 18, 2024• 14 citations
arXivHTMLPDF

Abstract

We develop a diagrammatic Monte Carlo method for the real-time dynamics of dissipative quantum impurity models. These are small open quantum systems with interaction and local Markovian dissipation, coupled to a large quantum bath. Our algorithm samples the hybridization expansion formulated on a single real-time contour, rather than on the double Keldysh one, as it naturally arises in the thermofield/vectorized representation of the Lindblad dynamics. We show that local Markovian dissipation generally helps the convergence of the diagrammatic Monte Carlo sampling by reducing the sign problem, thus allowing to reach longer timescales as compared to the conventional unitary case. We apply our method to an Anderson impurity model in the presence of local dephasing and discuss its effect on the charge and spin dynamics of the impurity.

DOI
10.1103/physrevb.109.125125

Related papers

Real-time dynamics in quantum impurity models with diagrammatic Monte Carlo

Marco Schirò

We extend the recently developed real-time diagrammatic Monte Carlo method, in its hybridization expansion formulation, to the full Kadanoff-Baym-Keldysh contour. This allows us to study real-time dynamics in correlated impurity models starting from an arbitrary, even interacting, initial density matrix. As a proof of concept, we apply the algorithm to study the nonequilibrium dynamics after a local quantum quench in the Anderson impurity model. Being a completely general approach to real-time dynamics in quantum impurity models, it can be used as a solver for nonequilibrium dynamical mean field theory.

arXiv:0911.0184•Physical Review B•Feb 26, 2010•72 citations

Modèles d'impuretés quantiques dissipatifs

Matthieu Vanhoecke

This thesis focuses on the study of dissipative quantum impurity models. Quantum impurity models describe a localized quantum system, known as the impurity, that interacts with a large quantum bath, enabling the exploration of essential phenomena such as the Kondo effect in magnetic impurities and the transport properties in quantum dots. An intriguing extension of these models is the exploration of the interplay between strong correlations and dissipation. Dissipation, often described by the Lindblad master equation in its Markovian limit, introduces challenges and opportunities as it interacts with coherent many-body effects. In this thesis, we want to investigate the non-equilibrium dynamics of quantum impurity systems influenced by both strong correlations and dissipation across four main parts. We begin by developing numerical methods, specifically a diagrammatic Monte Carlo technique, to analyze the real-time dynamics of dissipative quantum impurity models. Our findings demonstrate that local Markovian dissipation enhances the convergence of Monte Carlo sampling by constraining the process to a reduced subspace of diagrams. This effectively mitigates the sign problem and facilitates the exploration of longer time scales compared to conventional unitary approaches. In the second part, we derive a self-consistent dynamical map using the Non-Crossing Approximation to study the long-term behavior of dissipative quantum impurity models. This method effectively resums diagrams into a self-consistent Dyson equation, capturing essential non-Markovian environmental effects, including the Kondo effect. In a third part, we examine the relationship between Kondo physics and Markovian dissipation by investigating an interacting quantum dot coupled to a metallic bath under continuous charge monitoring. We identify a crossover from Kondo screening to the Quantum Zeno effect, effectively described by a non-Hermitian Kondo model in the weak dissipation regime. Finally, the last part explores the effects of particle losses on the Kondo effect and the Kondo-Zeno crossover. Preliminary results indicate that while single-particle losses reduce many-body effects, two-body losses introduce intriguing phenomena, such as spin decay and hints of the Kondo-Zeno crossover, along with an unusual spectral function exhibiting a low-frequency lineshape.

•Nov 25, 2024•0 citations

Quantum impurity models coupled to Markovian and non-Markovian baths

Marco Schirò, Orazio Scarlatella

We develop a method to study quantum impurity models, small interacting quantum systems bilinearly coupled to an environment, in the presence of an additional Markovian quantum bath, with a generic nonlinear coupling to the impurity. We aim at computing the evolution operator of the reduced density matrix of the impurity, obtained after tracing out all the environmental degrees of freedom. First, we derive an exact real-time hybridization expansion for this quantity, which generalizes the result obtained in the absence of the additional Markovian dissipation and which could be amenable to stochastic sampling through diagrammatic Monte Carlo. Then, we obtain a Dyson equation for this quantity and we evaluate its self-energy with a resummation technique known as the noncrossing approximation. We apply this novel approach to a simple fermionic impurity coupled to a zero temperature fermionic bath and in the presence of Markovian pump, losses, and dephasing.

arXiv:1904.07679•The Journal of Chemical Physics•Jul 22, 2019•27 citations

Diagrammatic Monte Carlo simulation of nonequilibrium systems

Philipp Werner, Takashi Oka, Andrew J. Millis

We generalize the recently developed diagrammatic Monte Carlo techniques for quantum impurity models from an imaginary time to a Keldysh formalism suitable for real-time and nonequilibrium calculations. Both weak-coupling and strong-coupling based methods are introduced, analyzed, and applied to the study of transport and relaxation dynamics in interacting quantum dots.

arXiv:0810.2345•Physical Review B•Jan 21, 2009•289 citations

Exact real-time dynamics of single-impurity Anderson model from a single-spin hybridization-expansion

Patryk Kubiczek, Alexey Rubtsov, Alexander I. Lichtenstein

In this work we introduce a modified real-time continuous-time hybridization-expansion quantum Monte Carlo solver for a time-dependent single-orbital Anderson impurity model: CT-1/2-HYB-QMC. In the proposed method the diagrammatic expansion is performed only for one out of the two spin channels, while the resulting effective single-particle problem for the other spin is solved semi-analytically for each expansion diagram. CT-1/2-HYB-QMC alleviates the dynamical sign problem by reducing the order of sampled diagrams and makes it possible to reach twice as long time scales in comparison to the standard CT-HYB method. We illustrate the new solver by calculating an electric current through impurity in paramagnetic and spin-polarized cases.

arXiv:1904.12582•SciPost Physics•Aug 2, 2019•14 citations

Real-time diagrammatic Monte Carlo for nonequilibrium quantum transport

Marco Schirò, Michele Fabrizio

We propose a numerically exact approach to nonequilibrium real-time dynamics that is applicable to quantum impurity models coupled to biased noninteracting leads, such as those relevant to quantum transport in nanoscale devices. The method is based on a diagrammatic Monte Carlo sampling of the real-time perturbation theory along the Keldysh contour. We benchmark the method on a noninteracting resonant-level model and, as a first nontrivial application, we study zero-temperature nonequilibrium transport through a vibrating molecule.

arXiv:0808.0589•Physical Review B•Apr 13, 2009•170 citations
We develop a diagrammatic Monte Carlo method for the real-time dynamics of dissipative quantum impurity models. These are small open quantum systems with interaction and local Markovian dissipation, coupled to a large quantum bath. Our algorithm samples the hybridization expansion formulated on a single real-time contour, rather than on the double Keldysh one, as it naturally arises in the thermofield/vectorized representation of the Lindblad dynamics. We show that local Markovian dissipation generally helps the convergence of the diagrammatic Monte Carlo sampling by reducing the sign problem, thus allowing to reach longer timescales as compared to the conventional unitary case. We apply our method to an Anderson impurity model in the presence of local dephasing and discuss its effect on the charge and spin dynamics of the impurity.
We extend the recently developed real-time diagrammatic Monte Carlo method, in its hybridization expansion formulation, to the full Kadanoff-Baym-Keldysh contour. This allows us to study real-time dynamics in correlated impurity models starting from an arbitrary, even interacting, initial density matrix. As a proof of concept, we apply the algorithm to study the nonequilibrium dynamics after a local quantum quench in the Anderson impurity model. Being a completely general approach to real-time dynamics in quantum impurity models, it can be used as a solver for nonequilibrium dynamical mean field theory.
This thesis focuses on the study of dissipative quantum impurity models. Quantum impurity models describe a localized quantum system, known as the impurity, that interacts with a large quantum bath, enabling the exploration of essential phenomena such as the Kondo effect in magnetic impurities and the transport properties in quantum dots. An intriguing extension of these models is the exploration of the interplay between strong correlations and dissipation. Dissipation, often described by the Lindblad master equation in its Markovian limit, introduces challenges and opportunities as it interacts with coherent many-body effects. In this thesis, we want to investigate the non-equilibrium dynamics of quantum impurity systems influenced by both strong correlations and dissipation across four main parts. We begin by developing numerical methods, specifically a diagrammatic Monte Carlo technique, to analyze the real-time dynamics of dissipative quantum impurity models. Our findings demonstrate that local Markovian dissipation enhances the convergence of Monte Carlo sampling by constraining the process to a reduced subspace of diagrams. This effectively mitigates the sign problem and facilitates the exploration of longer time scales compared to conventional unitary approaches. In the second part, we derive a self-consistent dynamical map using the Non-Crossing Approximation to study the long-term behavior of dissipative quantum impurity models. This method effectively resums diagrams into a self-consistent Dyson equation, capturing essential non-Markovian environmental effects, including the Kondo effect. In a third part, we examine the relationship between Kondo physics and Markovian dissipation by investigating an interacting quantum dot coupled to a metallic bath under continuous charge monitoring. We identify a crossover from Kondo screening to the Quantum Zeno effect, effectively described by a non-Hermitian Kondo model in the weak dissipation regime. Finally, the last part explores the effects of particle losses on the Kondo effect and the Kondo-Zeno crossover. Preliminary results indicate that while single-particle losses reduce many-body effects, two-body losses introduce intriguing phenomena, such as spin decay and hints of the Kondo-Zeno crossover, along with an unusual spectral function exhibiting a low-frequency lineshape.
We develop a method to study quantum impurity models, small interacting quantum systems bilinearly coupled to an environment, in the presence of an additional Markovian quantum bath, with a generic nonlinear coupling to the impurity. We aim at computing the evolution operator of the reduced density matrix of the impurity, obtained after tracing out all the environmental degrees of freedom. First, we derive an exact real-time hybridization expansion for this quantity, which generalizes the result obtained in the absence of the additional Markovian dissipation and which could be amenable to stochastic sampling through diagrammatic Monte Carlo. Then, we obtain a Dyson equation for this quantity and we evaluate its self-energy with a resummation technique known as the noncrossing approximation. We apply this novel approach to a simple fermionic impurity coupled to a zero temperature fermionic bath and in the presence of Markovian pump, losses, and dephasing.
In this work we introduce a modified real-time continuous-time hybridization-expansion quantum Monte Carlo solver for a time-dependent single-orbital Anderson impurity model: CT-1/2-HYB-QMC. In the proposed method the diagrammatic expansion is performed only for one out of the two spin channels, while the resulting effective single-particle problem for the other spin is solved semi-analytically for each expansion diagram. CT-1/2-HYB-QMC alleviates the dynamical sign problem by reducing the order of sampled diagrams and makes it possible to reach twice as long time scales in comparison to the standard CT-HYB method. We illustrate the new solver by calculating an electric current through impurity in paramagnetic and spin-polarized cases.
We propose a numerically exact approach to nonequilibrium real-time dynamics that is applicable to quantum impurity models coupled to biased noninteracting leads, such as those relevant to quantum transport in nanoscale devices. The method is based on a diagrammatic Monte Carlo sampling of the real-time perturbation theory along the Keldysh contour. We benchmark the method on a noninteracting resonant-level model and, as a first nontrivial application, we study zero-temperature nonequilibrium transport through a vibrating molecule.