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We employ Non-equilibrium Green's functions (NEGF) to describe the real-time dynamics of an adsorbate-surface model system exposed to ultrafast laser pulses. For a finite number of electronic orbitals, the system is solved exactly and…

介观与纳米尺度物理 · 物理学 2016-05-04 E. Boström , M. Hopjan , A. Kartsev , C. Verdozzi , C. -O. Almbladh

Using the finite-element discrete variable representation of the nonequilibrium Green's function (NEGF) we extend previous work [K.~Balzer et al., Phys. Rev. A \textbf{81}, 022510 (2010)] to nonequilibrium situations and compute---from the…

原子物理 · 物理学 2010-11-29 K. Balzer , S. Bauch , M. Bonitz

Simulations of interacting electrons and bosons out of equilibrium, starting from first principles and aiming at realistic multiscale scenarios, is a grand theoretical challenge. Here, using the formalism of nonequilibrium Green's functions…

We establish the foundations of a nonequilibrium theory of quantum thermodynamics for noninteracting open quantum systems strongly coupled to their reservoirs within the framework of the nonequilibrium Green functions (NEGF). The energy of…

统计力学 · 物理学 2015-03-18 Massimiliano Esposito , Maicol A. Ochoa , Michael Galperin

We introduce diagrammatic technique for Hubbard nonequilibrium Green functions (NEGF). The formulation is an extension of equilibrium considerations for strongly correlated lattice models to description of current carrying molecular…

介观与纳米尺度物理 · 物理学 2016-11-04 Feng Chen , Maicol A. Ochoa , Michael Galperin

We have recently proposed a Nonequilibrium Green's Function (NEGF) approach to include Auger decay processes in the ultrafast charge dynamics of photoionized molecules. Within the so called Generalized Kadanoff-Baym Ansatz the fundamental…

其他凝聚态物理 · 物理学 2018-10-17 F. Covito , E. Perfetto , A. Rubio , G. Stefanucci

We give nonequilibrium Green's function (NEGF) perspective on thermodynamics formulations for open quantum systems strongly coupled to baths. Scattering approach implying thermodynamic consideration of a super-system (system plus baths)…

介观与纳米尺度物理 · 物理学 2021-04-19 Nicolas Bergmann , Michael Galperin

Non-equilibrium Green's Function (NGF) method is a powerful tool for studying the evolution of quantum many-body systems. Different types of correlations can be systematically incorporated within the formalism. The time evolution of the…

核理论 · 物理学 2018-01-17 M. H. Mahzoon , P. Danielewicz , A. Rios

We present an efficient implemention of a non-equilibrium Green function (NEGF) method for self-consistent calculations of electron transport and forces in nanostructured materials. The electronic structure is described at the level of…

介观与纳米尺度物理 · 物理学 2015-06-04 Jingzhe Chen , Kristian S. Thygesen , Karsten W. Jacobsen

The effect of electron-electron scattering on the equilibrium properties of few-electron quantum dots is investigated by means of nonequilibrium Green's functions theory. The ground and equilibrium state is self-consistently computed from…

介观与纳米尺度物理 · 物理学 2013-05-29 K. Balzer , M. Bonitz , R. van Leeuwen , N. E. Dahlen , A. Stan

The ultrafast hole dynamics triggered by the photoexcitation of molecular targets is a highly correlated process even for those systems, like organic molecules, having a weakly correlated ground state. We here provide a unifying framework…

化学物理 · 物理学 2021-07-21 Yaroslav Pavlyukh , Enrico Perfetto , Gianluca Stefanucci

Theoretical approaches to the photoionization of few-electron atoms are discussed. These include nonequilibrium Greens functions and wave function based approaches. In particular, the Multiconfiguration Time-Dependent Hartree-Fock method is…

原子物理 · 物理学 2015-05-14 M. Bonitz , D. Hochstuhl , S. Bauch , K. Balzer

Inelastic effects in electron transport through nano-sized devices are addressed with a method based on nonequilibrium Green's functions (NEGF) and perturbation theory to infinite order in the electron-vibration coupling. We discuss the…

介观与纳米尺度物理 · 物理学 2007-05-23 Thomas Frederiksen , Mads Brandbyge , Nicolas Lorente , Antti-Pekka Jauho

Coherent electronic transport through a molecular device is studied using non-equilibrium Green's function (NEGF) formalism. Such device is made of a short linear wire which is connected to para- and ferromagnetic electrodes. Molecule…

介观与纳米尺度物理 · 物理学 2009-11-10 Kamil Walczak

Theory of non-equilibrium Green's function (NGF) provides a practical framework for studying quantum many-body systems out of equilibrium. Extending the previous mean field approach developed for nuclear systems in one dimension with NGF,…

核理论 · 物理学 2020-08-26 Hao Lin , Hossein Mahzoon , Arnau Rios , Pawel Danielewicz

The Non-equilibrium Green's function (NEGF) formalism is a particularly powerful method to simulate the quantum transport properties of nanoscale devices such as transistors, photo-diodes, or memory cells, in the ballistic limit of…

We study the nonlinear elastic quantum electronic transport properties of nanoscopic devices using the Nonequilibrium Green's function (NEGF) method. The Green's function method allows us to expand the $I-V$ characteristics of a given…

介观与纳米尺度物理 · 物理学 2009-07-14 Alexis R. Hernández , Caio H. Lewenkopf

The quantum dynamics of correlated fermionic or bosonic many-body systems following external excitation can be successfully studied using nonequilibrium Green functions (NEGF) or reduced density matrix methods. Approximations are introduced…

强关联电子 · 物理学 2023-12-27 Erik Schroedter , Björn Jakob Wurst , Jan-Philip Joost , Michael Bonitz

This article reviews the application of the non-equilibrium Green's function formalism to the simulation of novel photovoltaic devices utilizing quantum confinement effects in low dimensional absorber structures. It covers well-known…

介观与纳米尺度物理 · 物理学 2012-06-14 U. Aeberhard

This review deals with the nonequilibrium Green's function (NEGF) method applied to the problems of energy transport due to atomic vibrations (phonons), primarily for small junction systems. We present a pedagogical introduction to the…

介观与纳米尺度物理 · 物理学 2013-05-28 Jian-Sheng Wang , Bijay Kumar Agarwalla , Huanan Li , Juzar Thingna
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