<tt>RealTimeTransport</tt>: An open-source C++ library for quantum transport simulations in the strong coupling regime

The description of quantum transport in the strong system-reservoir coupling regime poses a significant theoretical and computational challenge that demands specialized tools for accurate analysis. RealTimeTransport is a new open-source C++ library that enables the computation of both stationary and transient transport observables for generic quantum systems connected to metallic reservoirs. It computes the Nakajima-Zwanzig memory kernels for both dynamics and transport in real-time, going beyond traditional expansions in the bare system-reservoir couplings. Currently, several methods are available as follows: (i) A renormalized perturbation theory in leading and next-to-leading order, which avoids the low-temperature breakdown that limits the traditional theory. (ii) Starting from this well-behaved reference solution, a two- and three-loop, self-consistent renormalization-group transformation of the memory kernels is implemented. This allows refined quantitative predictions even in the presence of many body resonances, such as the Kondo enhancement of cotunneling. This paper provides an overview of the theory, the architecture of RealTimeTransport, and practical demonstrations of the currently implemented methods. In particular, we analyze the stationary transport through a serial double quantum dot and showcase for the T = 0 interacting Anderson model the complete time-development of single-electron tunneling (SET), cotunneling-assisted SET, and inelastic cotunneling resonances throughout the entire gate-bias stability diagram. We discuss the range of applicability of the implemented methods and benchmark them against other advanced approaches.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2024-08-12
DOI
https://doi.org/10.1063/5.0220783
Citations
2
Primary Topic
Quantum and electron transport phenomena
Type
article
Field-Weighted Citation Impact
0.68

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article

<tt>RealTimeTransport</tt>: An open-source C++ library for quantum transport simulations in the strong coupling regime

Konstantin Nestmann, M. R. Wegewijs, Martin Leijnse
2 citations
The Journal of Chemical Physics
Quantum and electron transport phenomena
0.68
article

<tt>RealTimeTransport</tt>: An open-source C++ library for quantum transport simulations in the strong coupling regime

Konstantin Nestmann, M. R. Wegewijs, Martin Leijnse
article en
2 citations

Abstract

The description of quantum transport in the strong system-reservoir coupling regime poses a significant theoretical and computational challenge that demands specialized tools for accurate analysis. RealTimeTransport is a new open-source C++ library that enables the computation of both stationary and transient transport observables for generic quantum systems connected to metallic reservoirs. It computes the Nakajima-Zwanzig memory kernels for both dynamics and transport in real-time, going beyond traditional expansions in the bare system-reservoir couplings. Currently, several methods are available as follows: (i) A renormalized perturbation theory in leading and next-to-leading order, which avoids the low-temperature breakdown that limits the traditional theory. (ii) Starting from this well-behaved reference solution, a two- and three-loop, self-consistent renormalization-group transformation of the memory kernels is implemented. This allows refined quantitative predictions even in the presence of many body resonances, such as the Kondo enhancement of cotunneling. This paper provides an overview of the theory, the architecture of RealTimeTransport, and practical demonstrations of the currently implemented methods. In particular, we analyze the stationary transport through a serial double quantum dot and showcase for the T = 0 interacting Anderson model the complete time-development of single-electron tunneling (SET), cotunneling-assisted SET, and inelastic cotunneling resonances throughout the entire gate-bias stability diagram. We discuss the range of applicability of the implemented methods and benchmark them against other advanced approaches.

The Journal of Chemical PhysicsVol. 161(6)
Forschungszentrum Jülich (DE), Lund University (SE), Jülich Aachen Research Alliance (DE), RWTH Aachen University (DE)
Vetenskapsrådet, NanoLund, Lunds Universitet, HORIZON EUROPE Marie Sklodowska-Curie Actions, HORIZON EUROPE European Research Council
Openalex Percentile: Top 32%
Quantum and electron transport phenomena
0.68
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