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An approach to non-adiabatic dynamics of atoms in molecular and condensed matter systems under general non-equilibrium conditions is proposed. In this method interaction between nuclei and electrons is considered explicitly up to the second…
We propose a fast and versatile algorithm to calculate local and transport properties such as conductance, shot noise, local density of state or local currents in mesoscopic quantum systems. Within the non equilibrium Green function…
We derive an improved version of the recursive Green's function formalism (RGF), which is a standard tool in the quantum transport theory. We consider the case of disordered quasi one-dimensional materials where the disorder is applied in…
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…
We present a detailed treatment of the nonequilibrium Green's function method for thermal transport due to atomic vibrations in nanostructures. Some of the key equations, such as self-energy and conductance with nonlinear effect, are…
It is shown that the reduced particle dynamics of 2+1 dimensional gravity in the maximally slicing gauge has hamiltonian form. This is proved directly for the two body problem and for the three body problem by using the Garnier equations…
Directly computing mass transport coefficients in stochastic models requires integrating over time the equilibrium correlations between atomic displacements. Here, we show how to accelerate the computations via \green{correlation splitting…
We show how to use the input-output formalism compute the propagator for an open quantum system, i.e. quantum networks with a low dimensional quantum system coupled to one or more loss channels. The total propagator is expressed entirely in…
We consider the Gibbs representation over space-time of non-equilibrium dynamics of Hamiltonian systems defined on a lattice with local interactions. We first write the corresponding action functional as a sum of local terms, defining a…
We propose and apply the finite-element discrete variable representation to express the nonequilibrium Green's function for strongly inhomogeneous quantum systems. This method is highly favorable against a general basis approach with regard…
The operators of localized spins within a magnetic material commute at different sites of its lattice and anticommute on the same site, so they are neither fermionic nor bosonic operators. Thus, to construct diagrammatic many-body…
Using a Green's function approach, we compare the trajectories of classical Hamiltonian point particles in an expanding space-time to the effectively inertial trajectories in the Zel'dovich approximation. It is shown that the effective…
We review one of the most versatile theoretical approaches to the study of time-dependent correlated quantum transport in nano-systems: the non-equilibrium Green's function (NEGF) formalism. Within this formalism, one can treat, on the same…
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 build an exact framework to evaluate heat, energy, and particle transport between Gaussian reservoirs mediated by a quadratic quantum system. By combining full counting statistics with newly developed non-Markovian master equation…
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…
An iterative algorithm is presented for solving the RPA equations of linear response. The method optimally computes the energy-weighted moments of the strength function, allowing one to match the computational effort to the intrinsic…
It is shown that the reduced particle dynamics of 2+1 dimensional gravity in the maximally slicing gauge is of hamiltonian nature. We give the exact diffeomorphism which transforms the expression of the spinning cone geometry in the Deser,…
We study the path integral solution of a system of particle moving in certain class of PT symmetric non-Hermitian and non-central potential. The Hamil- tonian of the system is converted to a separable Hamiltonian of Liouville type in…
Due to random dopant fluctuations, the device-to-device variability is a serious challenge to emerging nanoelectronics. In this work we present theoretical formalisms and numerical simulations of quantum transport variability, based on the…