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Time-resolved spectroscopy is a powerful tool for probing electron dynamics in molecules and solids, revealing transient phenomena on sub-femtosecond timescales. The interpretation of experimental results is often enhanced by parallel…
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…
Time-resolved photoemission spectroscopy is the key technique to probe the real-time non-equilibrium dynamics of electronic states. Theoretical predictions of the time dependent spectral function for realistic systems is however, a…
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…
We investigate 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's function. To…
We apply a computationally efficient approach to study the time- and energy-resolved spectral properties of a two-site Hubbard model using the nonequilibrium Green's function formalism. By employing the iterative generalized Kadanoff-Baym…
A generalized quantum kinetic equation (RKE) of the Kadanoff-Baym type is obtained on the basis of the Heisenberg equations of motion where the time evolution and space translation are separated from each other by means of the covariant…
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…
The nonequilibrium Dyson (or Kadanoff-Baym) equation, which is an equation of motion with long-range memory kernel for real-time Green functions, underlies many numerical approaches based on the Keldysh formalism. In this paper we map the…
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 Keldysh formalism for nonequilibrium Green's functions is a powerful theoretical framework for the description of the electronic structure, spectroscopy, and dynamics of strongly correlated systems. However, the underlying Kadanoff-Baym…
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)…
A method for deriving quantum kinetic equations with initial correlations is developed on the basis of the nonequilibrium Green's function formalism. The method is applicable to a wide range of correlated initial states described by…
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…
We present a generalized dynamical mean-field approach for the nonequilibrium physics of a strongly correlated system in the presence of a time-dependent external field. The Keldysh Green's function formalism is used to study the…
We extend the formalism of the thermodynamic two-time Green's functions to nonextensive quantum statistical mechanics. Working in the optimal Lagrangian multipliers representation, the $q$-spectral properties and the methods for a direct…
We investigate memory effects and quantum transport in two-dimensional lattice systems within the framework of non-equilibrium Green's functions and Schwinger-Keldysh non-equilibrium quantum field theory. Starting from a 2D tight-binding…
We present a detailed study of the real-time dynamics and spectral properties of the one-dimensional fermionic Hubbard model at infinite temperature. Using tensor network simulations in Liouville space, we compute the single-particle…
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…
A novel method based on spectral Green functions is presented for the simulation of driven open quantum dynamics that can be described by the Lindblad master equation in Liouville density operator space. The method extends the Hilbert space…