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
相关论文
共 50 条
  • [1] CTL: Modular Open-source C plus plus -Library for CT-Simulations
    Pfeiffer, Tim
    Frysch, Robert
    Bismark, Richard N. K.
    Rose, Georg
    [J]. 15TH INTERNATIONAL MEETING ON FULLY THREE-DIMENSIONAL IMAGE RECONSTRUCTION IN RADIOLOGY AND NUCLEAR MEDICINE, 2019, 11072
  • [2] LIBRJMCMC: AN OPEN-SOURCE GENERIC C plus plus LIBRARY FOR STOCHASTIC OPTIMIZATION
    Bredif, Mathieu
    Tournaire, Olivier
    [J]. XXII ISPRS CONGRESS, TECHNICAL COMMISSION III, 2012, 39-B3 : 259 - 264
  • [3] CPPE: An Open-Source C plus plus and Python']Python Library for Polarizable Embedding
    Scheurer, Maximilian
    Reinholdt, Peter
    Kjellgren, Erik Rosendahl
    Olsen, Jogvan Magnus Haugaard
    Dreuw, Andreas
    Kongsted, Jacob
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019, 15 (11) : 6154 - 6163
  • [4] The Control Toolbox - An Open-Source C plus plus Library for Robotics, Optimal and Model Predictive Control
    Giftthaler, Markus
    Neunert, Michael
    Stauble, Markus
    Buchli, Jonas
    [J]. 2018 IEEE INTERNATIONAL CONFERENCE ON SIMULATION, MODELING, AND PROGRAMMING FOR AUTONOMOUS ROBOTS (SIMPAR), 2018, : 123 - 129
  • [5] NiHu: An open source C plus plus BEM library
    Fiala, P.
    Rucz, P.
    [J]. ADVANCES IN ENGINEERING SOFTWARE, 2014, 75 : 101 - 112
  • [6] On the Use of Package Managers by the C plus plus Open-Source Community
    Miranda, Andre
    Pimentel, Joao
    [J]. 33RD ANNUAL ACM SYMPOSIUM ON APPLIED COMPUTING, 2018, : 1483 - 1491
  • [7] CppyABM: An open-source agent-based modeling library to integrate C plus plus and Python']Python
    Nourisa, Jalil
    Zeller-Plumhoff, Berit
    Willumeit-Roemer, Regine
    [J]. SOFTWARE-PRACTICE & EXPERIENCE, 2022, 52 (06): : 1337 - 1351
  • [8] Muxstep: an open-source C plus plus multiplex HMM library for making inferences on multiple data types
    Velickovic, Petar
    Lio, Pietro
    [J]. BIOINFORMATICS, 2016, 32 (16) : 2562 - 2564
  • [9] Quandary: An open-source C plus plus package for high-performance optimal control of open quantum systems
    Gunther, Stefanie
    Petersson, N. Anders
    DuBois, Jonathan L.
    [J]. PROCEEDINGS OF SECOND INTERNATIONAL WORKSHOP ON QUANTUM COMPUTING SOFTWARE (QCS 2021), 2021, : 88 - 98
  • [10] The Scythe Statistical Library: An Open Source C plus plus Library for Statistical Computation
    Pemstein, Daniel
    Quinn, Kevin M.
    Martin, Andrew D.
    [J]. JOURNAL OF STATISTICAL SOFTWARE, 2011, 42 (12): : 1 - 26