Related papers: Ab-initio self-energy corrections in systems with …
We present a diagrammatic approach to construct self-energy approximations within many-body perturbation theory with positive spectral properties. The method cures the problem of negative spectral functions which arises from a…
A quasiparticle band structure of a single layer 2H-NbSe$_2$ is reported by using first-principles $GW$ calculation. We show that a self-energy correction increases the width of a partially occupied band and alters its Fermi surface shape…
We study the effect of semicore states on the self-energy corrections and electronic energy gaps of silicon, germanium and GaAs. Self-energy effects are computed within the GW approach, and electronic states are expanded in a plane-wave…
The self-consistent GW band gaps are known to be significantly overestimated. We show that this overestimation is, to a large extent, due to the neglect of the contribution of the lattice polarization to the screening of the…
Methods of bound-state QED that treat the self-energy contributions to the Lamb shift within the partial-wave expansion usually face the problem of slow convergence of the latter. Inspired by an approach formulated in [J. Sapirstein and K.…
Despite its success in the study of spectroscopic properties, the $GW$ method presents specific methodological challenges when applied to systems with metallic screening. Here, we present an efficient and fully ab-initio implementation for…
We calculate the correction to the electronic density of states in a disordered ferromagnetic metal induced by spin-wave mediated interaction between the electrons. Our calculation is valid for the case that the exchange splitting in the…
For materials which are incorrectly predicted by density functional theory to be metallic, an iterative procedure must be adopted in order to perform GW calculations. In this paper we test two iterative schemes based on the quasi-particle…
We study the ground--state shell correction energy of a fermionic gas in a mean--field approximation. Considering the particular case of 3D harmonic trapping potentials, we show the rich variety of different behaviors (erratic, regular,…
We calculated the self-energy corrections beyond the mean-field solution of the rotating antiferromagnetism theory using the functional integral approach. The frequency dependence of the scattering rate ${1}/{\tau}$ is evaluated for…
We improve on a method to compute the fermion contribution to the vacuum polarization energy of string-like configurations in a non-Abelian gauge theory. We establish the new method by numerically verifying the invariance under (a subset…
A fundamental question about the nature of quantum materials such as High-T$_c$ systems remain open to date -- it is unclear whether they are (some variety of) Fermi liquids, or (some variety of) non Fermi liquids. A direct avenue to…
A high-precision numerical calculation is reported for the self-energy correction to the hyperfine splitting and to the bound-electron g factor in hydrogenlike ions with low nuclear charge numbers. The binding nuclear Coulomb field is…
A detailed description of the numerical procedure is presented for the evaluation of the one-loop self-energy correction to the $g$-factor of an electron in the $1s$ and $2s$ states in H-like ions to all orders in $Z\alpha$.
The rapid progress of electron spin resonance scanning tunneling microscopy experiments has enabled the manipulation of individual adsorbate spin states physisorbed on ultrathin oxide layers supported on metal substrates. Electron resonance…
We present a method to efficiently combine the computation of electron-electron and electron-phonon self-energies, which enables the evaluation of electron-phonon coupling at the $G_0W_0$ level of theory for systems with hundreds of atoms.…
The LDA-1/2 method for self-energy correction is a powerful tool for calculating accurate band structures of semiconductors, while keeping the computational load as low as standard LDA. Nevertheless, controversies remain regarding the…
The first fully relativistic, rigorous QED calculations of the self-energy correction to the fine-structure levels of heavy muonic atoms are reported. We discuss nuclear model and parameter dependence for this contribution as well as…
We report a method for the evaluation of the one-loop self-energy, to all orders in the external binding field, using a Gaussian basis set expansion. This choice of basis is motivated by its widespread use in molecular calculations. For a…
The electronic band structure of SrTiO$_3$ is investigated in the all-electron QS$GW$ approximation. Unlike previous pseudopotential based QS$GW$ or single-shot $G_0W_0$ calculations, the gap is found to be significantly overestimated…