Related papers: Irreducible Green Functions Method applied to nano…
Time-resolved photoemission experiments can reveal fascinating quantum dynamics of correlated electrons. However, the thermalization of the electronic system is typically so fast that very short probe pulses are necessary to resolve the…
In this paper it is shown how the generating functional for Green's functions in relativistic quantum field theory and in thermal field theory can be evaluated in terms of a standard quantum mechanical path integral. With this calculational…
We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias. Our method is…
Path integral molecular dynamics (PIMD) has been successfully applied to perform simulations of large bosonic systems in a recent work (Hirshberg et al., PNAS, 116, 21445 (2019)). In this work we extend PIMD techniques to study Green's…
Non-equilibrium Green's function technique has been used to calculate spin-dependent electronic transport through a quantum dot in the Kondo regime. The dot is described by the Anderson Hamiltonian and is coupled either symmetrically or…
We construct the fundamental solution or Green function for a divergence form elliptic system in two dimensions with bounded and measurable coefficients. We consider the elliptic system in a Lipschitz domain with mixed boundary conditions.…
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…
While the periodic equation-of-motion coupled-cluster (EOM-CC) method promises systematic improvement of electronic band gap calculations in solids, its practical application at the singles and doubles level (EOM-CCSD) is hindered by severe…
Based on the Green's function (GF) equation-of-motion formalism, we develop a method to expand the double time Green's function into Taylor series of the parameter $\lambda$ in the Hamiltonian $H=H_0 + \lambda H_1$. Here $H_0$ is the…
We investigate the dephasing effect of the Kondo singlet in an Aharonov-Bohm interferometer with a quantum dot coupling to left and right electrodes. By employing the cluster expansions, the equations of motion of Green functions are…
A self-consistent method for calculating electron transport through a molecular device is proposed. It is based on density functional theory electronic structure calculations under periodic boundary conditions and implemented in the…
We study the spin-dependent transport through a quantum dot coupled to two ferromagnetic electrodes using the equation of motion method for the nonequilibrium Green's functions. Our results show that the conductance and the density of…
We consider a quantum dot, affected by a local vibrational mode and contacted to macroscopic leads, in the non-equilibrium steady-state regime. We apply a variational Lang-Firsov transformation and solve the equations of motion of the Green…
Electrostatic Green functions for grounded equipotential circular and elliptical rings, and grounded hyperspheres in n-dimension electrostatics, are constructed using Sommerfeld's method. These electrostatic systems are treated…
The time evolution in open quantum systems, such as a molecular aggregate in contact with a thermal bath, still poses a complex and challenging problem. The influence of the thermal noise can be treated using a plethora of schemes, several…
We provide theory and formal insight on the Green function quantization method for absorptive and dispersive spatial-inhomogeneous media in the context of dielectric media. We show that a fundamental Green function identity, which appears,…
Newly developed coupled-cluster (CC) methods enable simulations of ionization potentials and spectral functions of molecular systems in a wide range of energy scales ranging from core-binding to valence. This paper discusses results…
The dynamics of the electrons for a molecule in solution is coupled to the dynamics of its polarizable environment, i.e., the solvent. To theoretically investigate such electronic dynamics, we have recently developed equations of motion…
In this work we perform a Green's function analysis of giant-dipole systems. First we derive the Green's functions of different magnetically field-dressed systems, in particular of electronically highly excited atomic species in crossed…
We propose a microscopic approach describing the interaction of an ideal gas of hydrogenlike atoms with a weak electromagnetic field. This approach is based on the Green-function formalism and an approximate formulation of the method of…