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A new mechanical model on noncircular shallow tunnelling considering initial stress field is proposed in this paper by constraining far-field ground surface to eliminate displacement singularity at infinity, and the originally unbalanced…
We review recent applications of the nonequilibrium Green function technique to time-dependent transport in mesoscopic systems.
Recent work found that an analysis formalism based on the Lanczos algorithm allows energy levels to be extracted from Euclidean correlation functions with faster ground-state convergence than effective masses, convergent estimators for…
We investigate energy transport in several two-level atom or spin-1/2 models by a direct coupling to heat baths of different temperatures. The analysis is carried out on the basis of a recently derived quantum master equation which…
The 'Neumann-Ulam' Monte-Carlo sampling is described for the calculation of a matrix inversion or a Green function in case of Hubbard-Stratonovich (HS-)transformed coherent state path integrals. We illustrate how to circumvent direct…
A direct procedure for determining the propagator associated with a quantum mechanical problem was given by the Path Integration Procedure of Feynman. The Green function, which is the Fourier Transform with respect to the time variable of…
The unavoidable coupling of quantum systems to external degrees of freedom leads to dissipative (non-unitary) dynamics, which can be radically different from closed-system scenarios. Such open quantum system dynamics is generally described…
A general solution for vacancy-mediated diffusion in the dilute-vacancy/dilute-solute limit for arbitrary crystal structures is derived from the master equation. A general numerical approach to the vacancy lattice Green function reduces to…
In this paper we discuss a formulation of relativistic quantum mechanics that uses Euclidean Green functions or generating functionals as input. This formalism has a close relation to quantum field theory, but as a theory of linear…
In this review article, we present a non-equilibrium quantum transport theory for transient electron dynamics in nanodevices based on exact master equation derived with the path integral method in the fermion coherent-state representation.…
We show how to evaluate mobility profiles, characterizing the transport of confined fluids under a perturbation, from equilibrium molecular simulations. The correlation functions derived with the Green-Kubo formalism are difficult to sample…
In this work we introduce a memory-efficient method for computing the action of a Hermitian matrix function on a vector. Our method consists of a rational Lanczos algorithm combined with a basis compression procedure based on rational…
A simple and efficient approximation scheme to study electronic transport characteristics of strongly correlated nano devices, molecular junctions or heterostructures out of equilibrium is provided by steady-state cluster perturbation…
We explicitly calculate the Green functions describing quantum changes of topology in Friedman-Lemaitre-Robertson-Walker Universes whose spacelike sections are compact but endowed with distinct topologies. The calculations are performed…
Nonperturbative dynamic theory has a particular advantage in studying the transport in a quantum impurity system in a steady state. Here, we develop a new approach for obtaining the retarded Green's function expressed in resolvent form. We…
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…
In this paper we present a method to numerically study transverse Hall conductances using a two-terminal setup. Using nonlinear transport concepts we find that the Hall voltage dependence on the model parameters can be investigated from the…
Modeling nanoscale devices quantum mechanically is a computationally challenging problem where new methods to solve the underlying equations are in a dire need. In this paper, we present an approach to calculate the charge density in…
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…
Many stochastic processes in the physical and biological sciences can be modelled as Brownian dynamics with multiplicative noise. However, numerical integrators for these processes can lose accuracy or even fail to converge when the…