Related papers: All-electron BSE@GW method with Numeric Atom-Cente…

We extend the self-consistent Green's functions formalism to take into account three-body interactions. We analyze the perturbative expansion in terms of Feynman diagrams and define effective one- and two-body interactions, which allows for…

We summarize recent developments in the field of higher dimensional bosonization made by the authors and collaborators and propose a general formula for the field operator in terms of currents and densities in one dimension using a new…

Background. The Gorkov approach to self-consistent Green's function theory has been formulated in [V. Som\`a, T. Duguet, C. Barbieri, Phys. Rev. C 84, 064317 (2011)]. Over the past decade, it has become a method of reference for…

We present an all-electron, periodic {\GnWn} implementation within the numerical atomic orbital (NAO) basis framework. A localized variant of the resolution-of-the-identity (RI) approximation is employed to significantly reduce the…

A local-orbital based ab initio approach to obtain the Green function for large heterogeneous systems is developed. First a Green function formalism is introduced based on exact diagonalization. Then the self energy is constructed from an…

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…

The equation of motion method (EOM) for Green functions is one of the tools used in the analysis of quantum dot system coupled with metallic and superconducting leads. We investigate modified EOM, based on differentiation of double-time…

We present a new, all-electron implementation of the GW approximation and apply it to wurtzite ZnO. Eigenfunctions computed in the local-density approximation (LDA) by the full-potential linearized augmented-plane-wave (LAPW) or the…

We present a real-time second-order Green's function (GF) method for computing excited states in molecules and nanostructures, with a computational scaling of $O(N_{\rm e}^3$), where $N_{\rm e}$ is the number of electrons. The cubic scaling…

An efficient and compact approach to the inclusion of dissipative effects in Non-Equilibrium Green's Function (NEGF) simulations of electronic systems is introduced. The algorithm is based on two well known methods in the literature,…

The Hubbard model, a cornerstone in the field of condensed matter physics, serves as a fundamental framework for investigating the behavior of strongly correlated electron systems. This paper presents a novel perspective on the model,…

In this paper, we propose a unified formalism, using Green's functions, to integrate out the electrons in an insulator under uniform electromagnetic fields. We derive a perturbative formula for the Green's function in the presence of…

GW calculations with fully self-consistent G and W -- based on the iterative solution of the Dyson equation -- provide an approach for consistently describing ground and excited states on the same quantum mechanical level. We show that for…

We report an implementation of self-consistent Green's function many-body theory within a second-order approximation (GF2) for application with molecular systems. This is done by iterative solution of the Dyson equation expressed in matrix…

The Bethe-Salpeter equation (BSE) formalism is steadily asserting itself as a new efficient and accurate tool in the ensemble of computational methods available to chemists in order to predict optical excitations in molecular systems. In…

The $GW$ approach of many-body perturbation theory (MBPT) has become a common tool for calculating the electronic structure of materials. However, with increasing number of published results, discrepancies between the values obtained by…

Here we obtain bounds on the spectrum of that operator whose inverse, when it exists, gives the Green's function. We consider the wide of physical problems that can be cast in a form where a constitutive equation ${\bf J}({\bf x})={\bf…

We present a Green's function formulation of the quantum defect embedding theory (QDET) where a double counting scheme is rigorously derived within the $G_0 W_0$ approximation. We then show the robustness of our methodology by applying the…

We present a new theoretical approach, unrestricted self-energy embedding theory (USEET) that is a Green's function embedding theory used to study problems in which an open, embedded system exchanges electrons with the environment. USEET…

In this work we present a three step procedure for generating a closed form expression of the Green's function on both closed and open finite quantum graphs with general self-adjoint matching conditions. We first generalize and simplify the…