Related papers: Nonequilibrium transport through the Hubbard dimer
Electron dynamics in a two-sites Hubbard model is studied using the nonequilibrium Green's function approach. The study is motivated by the empirical observation that a full solution of the integro-differential Kadanoff-Baym equation (KBE)…
In non-equilibrium Green's function calculations the use of the Generalized Kadanoff-Baym Ansatz (GKBA) allows for a simple approximate reconstruction of the two-time Green's function from its time-diagonal value. With this a drastic…
The nonequilibrium Green's function formalism provides a versatile and powerful framework for numerical studies of nonequilibrium phenomena in correlated many-body systems. For calculations starting from an equilibrium initial state, a…
The Hubbard model is a prototype for strongly correlated many-particle systems, including electrons in condensed matter and molecules, as well as for fermions or bosons in optical lattices. While the equilibrium properties of these systems…
Understanding time-resolved quantum transport is crucial for developing next-generation quantum technologies, particularly in nano- and molecular junctions subjected to time-dependent perturbations. Traditional steady-state approaches to…
Nonequilibrium heat transport in quantum systems coupled to wide-band embeddings provides a striking example of the limitations of the generalized Kadanoff-Baym ansatz (GKBA), while solving the full two-time Kadanoff-Baym equations remains…
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…
Real-time Green's function simulations of molecular junctions (open quantum systems) are typically performed by solving the Kadanoff-Baym equations (KBE). The KBE, however, impose a serious limitation on the maximum propagation time due to…
We propose a time-dependent many-body approach to study the short-time dynamics of correlated electrons in quantum transport through nanoscale systems contacted to metallic leads. This approach is based on the time-propagation of the…
We have developed a method based on the embedded Kadanoff-Baym equations to study the time evolution of open and inhomogeneous systems. The equation of motion for the Green's function on the Keldysh contour is solved using different…
For a quantum many-body system, the direct population of states of double-excitation character is a clear indication that correlations importantly contribute to its nonequilibrium properties. We analyze such correlation-induced transitions…
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…
Computing the numerical solution of the Kadanoff-Baym equations, a set of nonlinear integral differential equations satisfied by two-time Green's functions derived from many-body perturbation theory for a quantum many-body system away from…
Non-equilibrium Green's function theory for non-adiabatic effects in quantum transport [Kershaw and Kosov, J.Chem. Phys. 2017, 147, 224109 and J. Chem. Phys. 2018, 149, 044121] is extended to the case of interacting electrons. We consider a…
The generalized Kadanoff-Baym ansatz (GKBA) offers a computationally inexpensive approach to simulate out-of-equilibrium quantum systems within the framework of nonequilibrium Green's functions. For finite systems the limitation of…
We have implemented time-propagation of the non-equilibrium Green function for atoms and molecules, by solving the Kadanoff-Baym equations within a conserving self-energy approximation. We here demonstrate the usefulnes of time-propagation…
We reconsider the Generalized Kadanoff--Baym Ansatz (GKBA) approximation for non-equilibrium Green's functions and extend it to self-consistently define an equilibrium correlated (within GKBA) state in closed systems. The advantage of the…
This work reports the study of the spectral properties of an open interacting system by solving the Generalized Kadanoff-Baym Ansatz (GKBA) master equation for the single-particle density matrix, namely the time-diagonal lesser Green…
For a minimal Hubbard-type system at different interaction strengths U, we investigate the density-response for an excitation beyond the linear regime using the generalized Kadanoff-Baym ansatz (GKBA) and the second Born (2B) approximation.…
The non-equilibrium Green's function gives access to one-body observables for quantum systems. Of particular interest are quantities such as density, currents, and absorption spectra which are important for interpreting experimental results…