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Spectroscopic and optical properties of nanosystems and point defects are discussed within the framework of Green's function methods. We use an approach based on evaluating the self-energy in the so-called GW approximation and solving the…
Excitonic contributions to absorption and photocurrent generation in semiconductor nanostructures are described theoretically and simulated numerically using steady-state non-equilibrium Green's function theory. In a first approach, the…
The Extended Koopman's Theorem (EKT) provides a straightforward way to compute charged excitations from any level of theory. In this work we make the link with the many-body effective energy theory (MEET) that we derived to calculate the…
The multiple scattering formalism is used to extract irreducible N-body parts of Green's functions and Casimir energies describing the interaction of N objects that are not necessarily mutually disjoint. The irreducible N-body scattering…
In this paper, we consider the inverse scattering problem for recovering either an isotropic or anisotropic scatterer from the measured scattered field initiated by a point source. We propose two new imaging functionals for solving the…
Many-body theory is largely based on self-consistent equations that are constructed in terms of the physical quantity of interest itself, for example the density. Therefore, the calculation of important properties such as total energies or…
We present a data-driven approach to mathematically model physical systems whose governing partial differential equations are unknown, by learning their associated Green's function. The subject systems are observed by collecting…
We present a theoretical framework to describe polarons from first principles within a many-body Green's function formalism. Starting from a general electron-phonon Hamiltonian, we derive a self-consistent Dyson equation in which the…
The main problem in theoretical analysis of structures with strong confinement is the fact that standard mathematical tools: differential equations and Fourier's transformations are no longer applicable. In this paper we have demonstrated…
The emergence of hexagonal Ge (2H-Ge) as a candidate direct-gap group-IV semiconductor for Si photonics mandates rigorous understanding of its optoelectronic properties. Theoretical predictions of a "pseudo-direct" band gap, characterized…
The self-energy $\Sigma({\bf k},\omega)$, the fundamental function which describes the effects of many-body interactions on an electron in a solid, is usually difficult to obtain directly from experimental data. In this paper, we show that…
In this study, we have calculated single-electron energy spectra via the Green's function based on the coupled-cluster singles and doubles (GFCCSD) method for isolated atoms from H to Ne. In order to check the accuracy of the GFCCSD method,…
In this paper, we present a 3-D one step photoemission model that can be used to calculate the quantum efficiency and momentum distributions of electrons photoemitted from ordered single crystal surfaces close to the photoemission…
The method of many-body Green's functions is developed for arbitrary systems of electrons and nuclei starting from the full (beyond Born-Oppenheimer) Hamiltonian of Coulomb interactions and kinetic energies. The theory presented here…
Concise and explicit formulas for dyadic Green's functions, representing the electric and magnetic fields due to a dipole source placed in layered media, are derived in this paper. First, the electric and magnetic fields in the spectral…
We explore skewed parton distributions for two-body, light-front wave functions. In order to access all kinematical regimes, we adopt a covariant Bethe-Salpeter approach, which makes use of the underlying equation of motion (here the…
We present a calculation of the spectral properties of a single charge doped at a Cu($3d$) site of the Cu-F plane in KCuF$_{3}$. The problem is treated by generating the equations of motion for the Green's function by means of subsequent…
We present an overview of electronic device modeling using non-equilibrium Green function techniques. The basic approach developed in the early 1970s has become increasingly popular during the last 10 years. The rise in popularity was…
The vertex function ($\Gamma$) within the Green's function formalism encapsulates information about all higher-order electron-electron interaction beyond those mediated by density fluctuations. Herein, we present an efficient approach that…
We develop a self-consistent spectral quadrature (sc-SQ) framework for the calculation of many-body Green functions. The method approximates the K\"all\'en--Lehmann spectral measure by Gauss--Christoffel (GC) quadrature, yielding a rational…