Related papers: Time-linear quantum transport simulations with cor…
We show that Green function methods can be straightforwardly applied to nonlinear equations appearing as the leading order of a short time expansion. Higher order corrections can be then computed giving a satisfactory agreement with…
A new diagrammatic quantum Monte Carlo approach is proposed to deal with the imaginary time propagator involving both dynamic disorder (i.e., electron-phonon interactions) and static disorder of local or nonlocal nature in a unified and…
Based on our earlier works [Phys. Rev. B 75, 195127 (2007) & J. Chem. Phys. 128, 234703 (2008)], we propose a formally exact and numerically convenient approach to simulate time-dependent quantum transport from first-principles. The…
Currents through quantum systems may probe non-analyticities in quantum-critical many-body ground states. For a large class of dissipative quantum critical systems we show that it is possible to obtain the reduced system dynamics in the…
Here we address two nonequilibrium Green's functions approaches for a resonant tunneling structure under a sudden switch of a bias. Our aim is to stress that the time-dependent Keldysh formulation of Jauho, Wingreen and Meir, and the…
In the time-dependent simulation of pure states dealing with transport in open quantum systems, the initial state is located outside of the active region of interest. Using the superposition principle and the analytical knowledge of the…
We present a theoretical study of time-dependent quantum transport in a resonant tunnel junction coupled to a nanomechanical oscillator within the non-equilibrium Green's function technique. An arbitrary voltage is applied to the tunnel…
Many-body quantum systems in nonequilibrium remain one of the frontiers of many-body physics. While there has been significant advances in describing the short-time evolution of these systems using a variety of different numerical…
Quantum devices featuring mid-circuit measurement and reset capabilities, such as quantum computers and dual-species Rydberg quantum simulators, enable the realization of quantum cellular automata. These systems evolve in discrete time…
Using non-equilibrium Green's functions, we derive a formula for the electron current through a lead-molecule-lead nanojunction where the interactions are not restricted to the central region, but are spread throughout the system, including…
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…
A method is presented for the systematic derivation of a hierarchy of coupled equations for the computation of two-time correlation functions of operators for open many-body quantum systems. We show how these systems of equations can be…
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…
Transport through correlated nanoscale systems underpins the operation of quantum-dot and molecular-scale devices, yet accurate simulations of large open quantum systems remain computationally challenging as system size increases.…
A single-time quantum transport equation, which includes effects beyond the quasiparticle approximation, is derived for Fermi-systems in the framework of non-equilibrium real-time Green's functions theory. Ternary correlations are…
We investigate the time-dependent, coherent, and dissipative dynamics of bound particles in single multilevel quantum dots in the presence of sequential tunnelling transport. We focus on the nonequilibrium regime where several channels are…
We have implemented the linear response approximation of a method proposed to compute the electron transport through correlated molecules based on the time-independent Wigner function [P. Delaney and J. C. Greer, \prl {\bf 93}, 36805…
Transport measurements are one of the most widely used methods of characterizing small systems in chemistry and physics. When interactions are negligible, the current through quantum dots, nanowires, molecular junctions, and other submicron…
Macroscopic quantum tunneling is described using the master equation for the reduced Wigner function of an open quantum system at zero temperature. Our model consists of a particle trapped in a cubic potential interacting with an…
We introduce a numerical method to simulate nonlinear open quantum dynamics of a particle in situations where its state undergoes significant expansion in phase space while generating small quantum features at the phase-space Planck scale.…