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

TL;DR

RealTimeTransport is an open-source C++ library that enables accurate quantum transport simulations in the strong coupling regime, incorporating advanced memory kernel methods and renormalization techniques for both stationary and transient analyses.

Contribution

The paper introduces a novel open-source C++ library that implements advanced memory kernel methods for quantum transport in strong coupling regimes, surpassing traditional approaches.

Findings

Successfully simulates stationary and transient quantum transport.

Accurately captures many-body resonances like the Kondo effect.

Benchmarks against other methods demonstrate improved accuracy.

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: (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 2- and 3-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 (CO-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.