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

被引:1
|
作者
Nestmann, Konstantin [1 ]
Leijnse, Martin [1 ]
Wegewijs, Maarten R. [2 ,3 ,4 ]
机构
[1] Lund Univ, Div Solid State Phys & NanoLund, S-22100 Lund, Sweden
[2] Rhein Westfal TH Aachen, Inst Theory Stat Phys, D-52056 Aachen, Germany
[3] JARA FIT, D-52056 Aachen, Germany
[4] Forschungszentrum Julich, Inst, D-52425 Julich, Germany
来源
JOURNAL OF CHEMICAL PHYSICS | 2024年 / 161卷 / 06期
基金
瑞典研究理事会; 欧洲研究理事会;
关键词
ELECTRON-TRANSPORT; !text type='PYTHON']PYTHON[!/text] FRAMEWORK; DYNAMICS; QUTIP;
D O I
10.1063/5.0220783
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页数:12
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