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We present novel methods implemented within the non-equilibrium Green function code (NEGF) transiesta based on density functional theory (DFT). Our flexible, next-generation DFT-NEGF code handles devices with one or multiple electrodes…

Mesoscale and Nanoscale Physics · Physics 2016-12-30 Nick Papior , Nicolás Lorente , Thomas Frederiksen , Alberto García , Mads Brandbyge

The generalized Kadanoff-Baym ansatz (GKBA) offers a computationally inexpensive approach to simulate out-of-equilibrium quantum systems within the framework of nonequilibrium Green's functions. For finite systems the limitation of…

Mesoscale and Nanoscale Physics · Physics 2021-03-02 Riku Tuovinen , Robert van Leeuwen , Enrico Perfetto , Gianluca Stefanucci

We discuss a non-equilibrium dynamical mean-field framework for simulating inhomogeneous Hubbard models with local disorders. Our approach treats electron interactions and disorders on equal footing, by considering only local dynamical…

Strongly Correlated Electrons · Physics 2023-12-27 Jiawei Yan , Philipp Werner

One of the challenges in diagrammatic simulations of nonequilibrium phenomena in lattice models is the large memory demand for storing momentum-dependent two-time correlation functions. This problem can be overcome with the recently…

Strongly Correlated Electrons · Physics 2025-10-23 Maksymilian Środa , Ken Inayoshi , Hiroshi Shinaoka , Philipp Werner

We lay down the {\em ab initio} many-body quantum theory of electrons and phonons in- and out-of-equilibrium at any temperature. We begin by addressing a fundamental issue concerning the {\em ab initio} Hamiltonian in the harmonic…

Materials Science · Physics 2024-02-19 Gianluca Stefanucci , Robert van Leeuwen , Enrico Perfetto

A time-stepping scheme with adaptivity in both the step size and the integration order is presented in the context of non-equilibrium dynamics described via Kadanoff-Baym equations. The accuracy and effectiveness of the algorithm are…

Strongly Correlated Electrons · Physics 2022-05-31 Francisco Meirinhos , Michael Kajan , Johann Kroha , Tim Bode

We study a stochastic many-body system maintained in an non-equilibrium steady state. Probability distribution functional of the time-integrated current and density is shown to attain a large-deviation form in the long-time asymptotics. The…

Statistical Mechanics · Physics 2007-12-21 Vladimir Y. Chernyak , Michael Chertkov , Sergey V. Malinin , Razvan Teodorescu

We present a systematic comparison of the real-time Dyson expansion (RTDE) with established non-equilibrium Green's function approaches for simulating driven, interacting quantum systems. Focusing on density matrix dynamics,…

Strongly Correlated Electrons · Physics 2026-01-30 Thomas Blommel , M. Rey Lambert , Michael A. Kurniawan , Annabelle Canestraight , Vojtech Vlcek

Realistic quantum systems are affected by environmental loss, which is often seen as detrimental for applications in quantum technologies. Alternatively, weak coupling to an environment can aid in stabilizing highly entangled and mixed…

Quantum Physics · Physics 2025-03-14 Koray Aydoğan , Anthony W. Schlimgen , Kade Head-Marsden

Development of experimental techniques at nanoscale resulted in ability to perform spectroscopic measurements on single-molecule current carrying junctions. These experiments are natural meeting point for research fields of optical…

Mesoscale and Nanoscale Physics · Physics 2025-02-20 Haoran Sun , Upendra Harbola , Shaul Mukamel , Michael Galperin

In this work we present a numerical method to solve the set of Dyson-like equations arising the context of non-equilibrium Green's functions. The technique is based on the self-consistent solution of the Dyson equations for the interacting…

Strongly Correlated Electrons · Physics 2019-09-04 N. W. Talarico , S. Maniscalco , N. Lo Gullo

Using non-equilibrium Green's functions combined with many-body perturbation theory, we have calculated steady-state densities and currents through short interacting chains subject to a finite electric bias. By using a steady-state…

Mesoscale and Nanoscale Physics · Physics 2016-04-18 Daniel Karlsson , Claudio Verdozzi

This review provides a written version of the lectures presented at the Schladming Winter School 2008, Austria, on 'Nonequilibrium Aspects of Quantum Field Theory'. In particular, it shows the way from quantum-field theory - in two-particle…

Nuclear Theory · Physics 2009-11-13 W. Cassing

We study the non-equilibrium (NE) fluctuation-dissipation (FD) relations in the context of quantum thermoelectric transport through a two-terminal nanodevice in the steady-state. The FD relations for the one- and two-particle correlation…

Statistical Mechanics · Physics 2014-04-17 H. Ness , L. K. Dash

We present an alternative form of master equation, applicable on the analysis of non-equilibrium dynamics of fermionic open quantum systems. The formalism considers a general scenario, composed by a multipartite quantum system in contact…

Quantum Physics · Physics 2017-11-15 Fabrício M. Souza , L. Sanz

We review and further develop the Keldysh functional integral technique for the study of Lindbladian evolution of many-body driven-dissipative quantum systems. A systematic and pedagogical account of the dynamics of generic bosonic and…

Mesoscale and Nanoscale Physics · Physics 2025-01-30 Foster Thompson , Alex Kamenev

Using the nonequilibrium Green's function (NEGF) formalism, we propose a microscopic theory for near-field heat transfer between charged metal plates focusing on the Coulomb interactions. Tight-binding models for the electrons are coupled…

Mesoscale and Nanoscale Physics · Physics 2017-06-21 Jian-Sheng Wang , Jiebin Peng

With the technical progress of radio-frequency setups, high frequency quantum transport experiments have moved from theory to the lab. So far the standard theoretical approach used to treat such problems numerically--known as Keldysh or…

Mesoscale and Nanoscale Physics · Physics 2014-08-26 Benoit Gaury , Joseph Weston , Christoph Groth , Xavier Waintal

Nonequilibrium heat transport in quantum systems coupled to wide-band embeddings provides a striking example of the limitations of the generalized Kadanoff-Baym ansatz (GKBA), while solving the full two-time Kadanoff-Baym equations remains…

Mesoscale and Nanoscale Physics · Physics 2025-02-10 Yaroslav Pavlyukh , Riku Tuovinen

For open quantum systems, the Gaussian environmental dissipative effect can be represented by statistical quasi-particles, namely, dissipatons. We exploit this fact to establish the dissipaton thermofield theory. The resulting generalized…

Statistical Mechanics · Physics 2022-08-04 Yao Wang , Zi-Hao Chen , Rui-Xue Xu , Xiao Zheng , YiJing Yan