Related papers: Ab-initio self-energy corrections in systems with …
Employing a local formula for the electron-electron interaction energy, we derive a self-consistent approximation for the total energy of a general $N$-electron system. Our scheme works as a local variant of the Thomas-Fermi approximation…
We report extensive calculations of the imaginary part of the electron self-energy in the vicinity of the (100) and (111) surfaces of Cu. The quasiparticle self-energy is computed by going beyond a free-electron description of the metal…
The hyperfine structure (HFS) of a bound electron is modified by the self-interaction of the electron with its own radiation field. This effect is known as the self-energy correction. In this work, we discuss the evaluation of higher-order…
Effects of finite-temperature quasiparticle self-energy corrections to x-ray absorption spectra are investigated within the finite-temperature quasiparticle local density GW approximation up to temperatures $T$ of order the Fermi…
The one-loop self-energy correction to the hyperfine splitting of the 1s and 2s levels in H-like low-Z atoms is evaluated to all orders in Z\alpha. The results are compared to perturbative calculations. The residual higher-order…
The fully self-consistent GW approximation is an established method for electronic structure calculations. Its most serious deficiency is known to be an incorrect prediction of the dielectric response. In this work we examine the GW…
We propose a simple formula for fitting the electron mean free paths in solids both at high and at low electron energies. The free-electron-gas approximation used for predicting electron mean free paths is no longer valid at low energies (E…
We investigate the self-energy of one electron coupled to a quantized radiation field by extending the ideas developed recently by C. Hainzl. We fix an arbitrary cut-off parameter Lambda and recover the alpha^2-term of the self-energy,…
We analyze the extrapolation to the thermodynamic limit of Fermi liquid properties of the homogeneous electron gas in two and three dimensions. Using field theory, we explicitly calculate finite-size effects of the total energy, the…
Hartree-Fock approximation suffers from two inabilities including i) the divergence of electron Fermi velocity , and ii) existence of bandwidth not confirmed experimentally. Here, we study the effects of minimal length on the ground state…
We have performed {\it ab initio} calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods…
We present the results of calculations for Pu and Am performed using an implementation of self-consistent relativistic GW method. The key feature of our scheme is to evaluate polarizability and self-energy in real space and Matsubara's…
In order to achieve quantum interference of free electrons inside a solid, we have modified the geometry of the solid so that de Broglie waves interfere destructively inside the solid. Quantum interference of de Broglie waves leads to a…
The $GW$ approximation is based on the neglect of vertex corrections, which appear in the exact self-energy and the exact polarizability. Here, we investigate the importance of vertex corrections in the polarizability only. We calculate the…
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…
The properties of metallic systems with important and structured excitations at low energies, such as Cu, are challenging to describe with simple models like the plasmon pole approximation (PPA), and more accurate and sometimes prohibitive…
There is presently a great interest in studying static and dynamic properties of highly charged ions that can be produced in large particle accelerators, like that at GSI in Darmstadt. To perform corresponding theoretical calculations with…
Vacuum polarisation (VP) and electron self energy (SE) are implemented and evaluated as quantum electrodynamic (QED) corrections in a (quasi-relativistic) two-component zeroth order regular approximation (ZORA) framework. For VP, the…
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 present a general formulation of the ground state binding energy of a shallow hydrogenic impurity in spherical quantum dot with parabolic confinement, considering the effects of polarization and self energy. The variational approach…