Related papers: Relativistic Self-Consistent $GW$: Exact Two-Compo…
We introduce the $\Sigma^{\text{BSE}}@L^{\text{BSE}}$ self-energy in the quasi-particle self-consistent $GW$ (qs$GW$) framework (qs$\Sigma^{\text{BSE}}@L^{\text{BSE}}$). Here, $L$ is the two-particle response function which we calculate by…
In this letter we study the behavior of non-minimally coupled Einstein-Gauss-Bonnet gravity theories with the constant-roll condition. Recalling the results of the striking GW170817 event, we demand that the velocity of the gravitational…
We present the general relativistic electrodynamics and magnetohydrodynamics with a helically coupled scalar field. We consider three component system with the fluid, scalar field and electromagnetic fields with the helical coupling. We…
We present three schemes to go beyond the electric-dipole approximation in X-ray absorption spectroscopy calculations within a four-component relativistic framework. The first is based on the full semi-classical light-matter interaction…
We show that the non-relativistic theory of mutual coherence and localization in Coulomb-disordered media can be extended to relativistic electron beams used in transmission electron microscopy (TEM). Starting from the Dirac equation, we…
A new computational framework for spinor-based relativistic exact two-component (X2C) calculations is developed using contracted basis sets with a spin-orbit contraction scheme. Generally contracted j-adapted basis sets using primitive…
A Higgsless model for strong, electro-weak and gravitational interactions is proposed. This model is based on the local symmetry group SU(3)xSU(2)xU(1)xC where C is the local conformal symmetry group. The natural minimal conformally…
The accuracy of the many-body perturbation theory GW formalism to calculate electron-phonon coupling matrix elements has been recently demonstrated in the case of a few important systems. However, the related computational costs are high…
Ab initio many-body perturbation theory within the $GW$ approximation is a Green's function formalism widely used in the calculation of quasiparticle excitation energies of solids. In what has become an increasingly standard approach,…
For the computational prediction of core electron binding energies in solids, two distinct kinds of modelling strategies have been pursued: the $\Delta$-Self-Consistent-Field method based on density functional theory (DFT), and the GW…
We report an all-electron implementation of the quasiparticle self-consistent GW (QSGW) method for molecular and periodic systems within the framework of numerical atomic orbitals (NAOs), as implemented in the LibRPA software package. Our…
The family of Green's function methods based on the $GW$ approximation has gained popularity in the electronic structure theory thanks to its accuracy in weakly correlated systems combined with its cost-effectiveness. Despite this,…
We construct consistent interacting gauge theories for M conformal massless spin-2 fields ("Weyl gravitons") with the following properties: (i) in the free limit, each field fulfills the equation ${\cal B}^{\mu \nu} = 0$, where ${\cal…
We present the method of the self-consistent calculation of thermodynamical and correlation functions. This approach is based on the GRPA (generalized random phase approximation) scheme with the inclusion of the mean field corrections.…
An efficient implementation of the self-consistent GW method in the FlapwMBPT code (https://www.bnl.gov/cmpmsd/flapwmbpt/) is presented. It features the evaluation of polarizability and self-energy which scales linearly with respect to the…
A two-particle self-consistency is rarely part of mean-field theories. It is, however, essential for avoiding spurious critical transitions and unphysical behavior. We present a general scheme for constructing analytically controllable…
ComDMFT is a parallel computational package designed to study the electronic structure of correlated quantum materials from first principles. Our approach is based on the combination of first-principles methods and dynamical mean field…
We have implemented the so called GW approximation (GWA) based on an all-electron full-potential Projector Augmented Wave (PAW) method. For the screening of the Coulomb interaction W we tested three different plasmon-pole dielectric…
In this work we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…