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We have implemented time-propagation of the non-equilibrium Green function for atoms and molecules, by solving the Kadanoff-Baym equations within a conserving self-energy approximation. We here demonstrate the usefulnes of time-propagation…

Materials Science · Physics 2007-05-23 Nils Erik Dahlen , Robert van Leeuwen

This paper presents a windowed Green function (WGF) method for the numerical solution of problems of elastic scattering by "locally-rough surfaces" (i.e., local perturbations of a half space), under either Dirichlet or Neumann boundary…

Computational Physics · Physics 2021-02-03 Oscar P. Bruno , Tao Yin

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)…

Mesoscale and Nanoscale Physics · Physics 2021-04-19 Nicolas Bergmann , Michael Galperin

We present a time-linear scaling method to simulate open and correlated quantum systems out of equilibrium. The method inherits from many-body perturbation theory the possibility to choose selectively the most relevant scattering processes…

Mesoscale and Nanoscale Physics · Physics 2025-06-10 R. Tuovinen , Y. Pavlyukh , E. Perfetto , G. Stefanucci

In the last 10 years, we have observed an important increase of interest in the application of time-dependent energy density functional theory (TD-EDF). This approach allows to treat nuclear structure and nuclear reaction from small to…

Nuclear Theory · Physics 2015-10-28 Denis Lacroix , Yusuke Tanimura , Guillaume Scamps , Cédric Simenel

The following issues are discussed inspired by the recent paper of Kadanoff (arXiv: 1403:6162): (a) Construction of a generalized one-particle Wigner distribution (GWD) function (analog of the classical distribution function) from which the…

Quantum Physics · Physics 2014-05-13 A. K. Rajgaopal

The time-dependent transport through a nano-scale device, consisting of a single spin-degenerate orbital with on-site Coulomb interaction, coupled to two leads, is investigated. Various gate and bias voltage time-dependences are considered.…

Mesoscale and Nanoscale Physics · Physics 2014-06-30 V. Vovchenko , D. Anchishkin , J. Azema , P. Lombardo , R. Hayn , A. -M. Daré

We present an elementary nonperturbative method to obtain Green's functions (GFs) for timelike momenta. We assume there are no singularities in the first and third quadrants of the complex plane of space momentum components and perform a 3d…

High Energy Physics - Phenomenology · Physics 2009-02-02 V. Sauli , Z. Batiz

The non-equilibrium Green's function (NEGF) approach offers a practical framework for simulating various phenomena in mesoscopic systems. As the dimension of electronic devices shrinks to just a few nanometers, the need for new…

Mesoscale and Nanoscale Physics · Physics 2025-04-09 Vahid Mosallanejad , Kuei-Lin Chiu , Wenjie Dou

Since the initial development of one-dimensional electron gases (1DEG) two decades ago, there has been intense interest in both the fundamental physics and the potential applications, including quantum computation, of these quantum…

Mesoscale and Nanoscale Physics · Physics 2009-10-02 Raphael Rosen

We consider a collision between a moving particle and a fixed system, each having internal degrees of freedom. We identify the regime where the motion of the particle acts as a work source for the joint internal system, leading to energy…

Quantum Physics · Physics 2022-06-29 Samuel L. Jacob , Massimiliano Esposito , Juan M. R. Parrondo , Felipe Barra

The main goal of this paper is to put on solid mathematical grounds the so-called Non-Equilibrium Green's Function (NEGF) transport formalism for open systems. In particular, we derive the Jauho-Meir-Wingreen formula for the time-dependent…

Mathematical Physics · Physics 2017-12-12 H. D. Cornean , V. Moldoveanu , C. -A. Pillet

We present a general model allowing one to calculate the distribution function of energetic particles in the interstellar medium, and hence any relevant nuclear reaction rate, for any given time-dependent injection function, as well as in…

Astrophysics · Physics 2007-05-23 Etienne Parizot

Many synthetic quantum systems allow particles to have dispersion relations that are neither linear nor quadratic functions. Here, we explore single-particle scattering in general spatial dimension $D\geq 1$ when the density of states…

Quantum Physics · Physics 2021-10-20 Yidan Wang , Michael J. Gullans , Xuesen Na , Seth Whitsitt , Alexey V. Gorshkov

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

Given the time-evolution of an electron charge density, the local potential in Kohn-Sham time-dependent density functional theory (KS-TDDFT) can be modeled as a sum of instantaneous and dynamic contributions by assuming a certain form of…

Computational Physics · Physics 2016-11-09 R. J. Magyar

The electromagnetic Green's function is a crucial ingredient for the theoretical study of modern photonic quantum devices, but is often difficult or even impossible to calculate directly. We present a numerically efficient framework for…

Mesoscale and Nanoscale Physics · Physics 2026-04-15 Robert Meiners Fuchs , Juanjuan Ren , Stephen Hughes , Marten Richter

Ab initio modeling of molecular electronics is nowadays routinely performed by combining the Density Functional Theory (DFT) and Nonequilibrium Green function (NEGF) techniques. This method has its roots in the current formula given by Meir…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 A. P. Jauho

Working within the Nonequilibrium Green's Function (NEGF) formalism, a formula for the two-time current correlation function is derived for the case of transport through a nanojunction in response to an arbitrary time-dependent bias. The…

Mesoscale and Nanoscale Physics · Physics 2017-05-03 Michael Ridley , Angus MacKinnon , Lev Kantorovich

The Nelson stochastic mechanics of inhomogeneous quantum diffusion in flat spacetime with a tensor of diffusion can be described as a homogeneous one in a Riemannian manifold where this tensor of diffusion plays the role of a metric tensor.…

High Energy Physics - Theory · Physics 2012-10-09 Zahid Zakir