Related papers: A causality-based divide-and-conquer algorithm for…
A parallel algorithm for the implementation of the recursive Green's function technique, which is extensively applied in the coherent scattering formalism, is developed. The algorithm performs a domain decomposition of the scattering region…
To explore whether the density-functional theory non-equilibrium Green's function formalism (DFT-NEGF) provides a rigorous framework for quantum transport, we carried out time-dependent density functional theory (TDDFT) calculations of the…
The main aspects of a gauge-invariant approach to the description of quark dynamics in the nonperturbative regime of QCD are first reviewed. In particular, the role of the parallel transport operation in constructing gauge-invariant Green's…
We introduce the Green's functions technique as an alternative theory to the quantum regression theorem formalism for calculating the two-time correlation functions in open quantum systems. In particular, we investigate the potential of…
In this paper we review the partitioned and partition-free approaches to the calculation of the time-dependent response of a molecular junction to the switch-on of an arbitrary time-dependent bias. Using the non equilibrium Green's function…
This paper discusses the technical aspects - mathematical and numerical - associated with the numerical simulations of a mesoscopic system in the time domain (i.e. beyond the single frequency AC limit). After a short review of the state of…
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…
We study the discretization of a linear evolution partial differential equation when its Green function is known. We provide error estimates both for the spatial approximation and for the time stepping approximation. We show that, in fact,…
This work presents spectral, mesh-free, Green's theorem-based numerical quadrature schemes for integrating functions over planar regions bounded by rational parametric curves. Our algorithm proceeds in two steps: (1) We first find…
We consider the learning of algorithmic tasks by mere observation of input-output pairs. Rather than studying this as a black-box discrete regression problem with no assumption whatsoever on the input-output mapping, we concentrate on tasks…
This article presents the first complete application of a quantum time-marching algorithm for simulating multidimensional linear transport phenomena with arbitrary boundaries, whereby the success probabilities are problem intrinsic. The…
The gain spectrum of a terahertz quantum cascade laser is analysed by a non equilibrium Green's functions approach. Higher harmonics of the response function were retrievable, providing a way to approach nonlinear phenomena in quantum…
Quantum algorithms for Hamiltonian simulation and linear differential equations more generally have provided promising exponential speed-ups over classical computers on a set of problems with high real-world interest. However, extending…
We study a system of two non-interacting quantum wires with fermions of opposite chirality with a point contact junction at the origin across which tunneling can take place when an arbitrary time-dependent bias between the wires is applied.…
The SINDy algorithm has been successfully used to identify the governing equations of dynamical systems from time series data. In this paper, we argue that this makes SINDy a potentially useful tool for causal discovery and that existing…
An extended Keldysh formalism, well suited to properly take into account the initial correlations, is used in order to deal with the time-dependent current response of a resonant tunneling system. We use a \textit{partition-free} approach…
We develop a consistent method for calculating non-equilibrium Green's functions for a nano-sized dot coupled to electron reservoirs by tunneling. The leads are generally at different chemical potentials (non-equilibrium), and the dot may…
In this paper, the Green function theory of quantum many-particle systems recently presented is reworked within the framework of nonextensive statistical mechanics with a new normalized $q$-expectation values. This reformulation introduces…
The accurate description and robust computational modeling of the nonequilibrium properties of quantum systems remain a challenge in condensed matter physics. In this work, we develop a linear-scale computational simulation technique for…
The interaction with time-dependent external fields, especially the interplay between time-dependent driving and quantum correlations, changes the familiar picture of electron transport through nanoscale systems. Although the exact solution…