Related papers: Entropy and information flow in quantum systems st…
The extraordinary quantum properties of nonequilibrium systems governed by dissipative dynamics have become a focal point in contemporary scientific inquiry. The Nonequilibrium Green's Functions (NEGF) theory provides a versatile method for…
A unified view on macroscopic thermodynamics and quantum transport is presented. Thermodynamic processes with an exchange of energy between two systems necessarily involve the flow of other balanceable quantities. These flows are first…
Using information entropy formalism, we consider a one-dimensional system with heat flux and extend the meaning of equilibrium variables to non equilibrium scenarios when classical local equilibrium approach is not applicable; this is…
We derive a closed equation of motion for the one particle density matrix of a quantum system coupled to multiple baths using the Redfield master equation combined with a mean-field approximation. The steady-state solution may be found…
The thermodynamic approach to non-equilibrium dynamics describes the state of macroscopic systems by means of a collection of intensities or intensive variables. The latter are by definition the differentials of the entropy with respect to…
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…
Nonequilibrium Greens function techniques (NEGF) combined with density functional theory (DFT) calculations have become a standard tool for the description of electron transport through single molecule nanojunctions in the coherent…
Open quantum systems are studied from the thermodynamical point of view unifying the principle of maximum informational entropy and the hypothesis of relaxation times hierarchy. The result of the unification is a non-Markovian and local in…
We derive the expressions of photon energy and particle currents inside an open nanosystem interacting with light using non-equilibrium Green's functions. The model allows different temperatures for the electron reservoirs, which basically…
Computations of entropy in thermodynamics rely on discreteness of the spectra of the subsystems. We argue that, for cases with continuous spectra (typically, radiation), there is a useful definition of entropy flow based on discretizing the…
Non equilibrium Green's function methods are regularly used to calculate current and charge densities in nanoscale (both molecular and semiconductor) conductors under bias. This method is mainly used for ballistic conduction but may be…
The Non-Equilibrium Green Function (NEGF) method was established in the 1960's through the classic work of Schwinger, Kadanoff, Baym, Keldysh and others using many-body perturbation theory (MBPT) and the diagrammatic theory for…
We describe a numerical algorithm for approximating the equilibrium-reduced density matrix and the effective (mean force) Hamiltonian for a set of system spins coupled strongly to a set of bath spins when the total system (system+bath) is…
This article presents an overview on recent progress in the theory of nonequilibrium Green functions (NEGF). NEGF, presently, are the only \textit{ab-initio} quantum approach that is able to study the dynamics of correlations for long times…
The random matrix ensembles (RME), especially Gaussian random matrix ensembles GRME and Ginibre random matrix ensembles, are applied to following quantum systems: nuclear systems, molecular systems, and two-dimensional electron systems…
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…
We consider open quantum systems weakly coupled to a heat reservoir and driven by arbitrary time-dependent parameters. We derive exact microscopic expressions for the nonequilibrium entropy production and entropy production rate, valid…
The science of thermodynamics was put together in the Nineteenth Century to describe large systems in equilibrium. One part of thermodynamics defines entropy for equilibrium systems and demands an ever-increasing entropy for non-equilibrium…
It is possible to extract work from a quantum-mechanical system whose dynamics is governed by a time-dependent cyclic Hamiltonian. An energy bath is required to operate such a quantum engine in place of the heat bath used to run a…
Regarding the strange properties of quantum entropy and entanglement, e.g., the negative quantum conditional entropy, we revisited the foundations of quantum entropy, namely, von Neumann entropy, and raised the new method of quantum…