Related papers: Ab-initio self-energy corrections in systems with …
The accurate prediction of band gaps and structural properties in periodic systems continues to be one of the central goals of electronic structure theory. However, band gaps obtained from popular exchange-correlation functionals (such as…
We demonstrate in this work the transferability of self-energy(SE) correction(SEC) of Kohn-Sham(KS) single particle states from smaller to larger systems, when mapped through localized orbitals constructed from the KS states. The approach…
Numerical calculations of the electron self-energy without any expansion in the binding nuclear field are required in order to match the rapidly advancing precision of experimental spectroscopy. For the lightest elements, particularly…
We discuss the calculation of fermion self energy correction in Light Front QED using a coherent state basis. We show that if one uses coherent state basis instead of fock basis to calculate the transition matrix elements, the true infrared…
Theoretical descriptions of the spectrum of electronic excitations in real metals have not yet reached a fully predictive, "first-principles" stage. In this paper we begin by presenting brief highlights of recent progress made in the…
In solid-state physics/chemistry, a precise understanding of defect formation and its impact on the electronic properties of wide-bandgap insulators is a cornerstone of modern semiconductor technology. However, complexities arise in the…
Power-suppressed corrections coming from the end-point integration regions in the amplitude of the process $\gamma^{*}\gamma \to \pi \pi$ at large $Q^2$ and small squared center-of-mass energy $W^2$ are calculated in the QCD hard-scattering…
Within a fully relativistic framework, the one-loop self-energy correction for a bound electron is derived and extended to incorporate the effects of external thermal radiation. In a series of previous works, it was shown that in quantum…
GW approximation is one of the most popular parameter-free many-body methods that goes beyond the limitations of the standard density functional theory (DFT) to determine the excitation spectra for moderately correlated materials and in…
The experimentally predicted narrowing in the bandwidth of sodium is interpreted in terms of the non-local self-energy effect on quasi-particle energies of the electron liquid. The calculated self-energy correction is a monotonically…
We present quasiparticle (QP) energies from fully self-consistent $GW$ (sc$GW$) calculations for a set of prototypical semiconductors and insulators within the framework of the projector-augmented wave methodology. To obtain converged…
We present results on the self-energy correction to the energy levels of hydrogen and hydrogenlike ions. The self energy represents the largest QED correction to the relativistic (Dirac-Coulomb) energy of a bound electron. We focus on the…
The LDA-1/2 method expands Slater's half occupation technique to infinite solid state materials by introducing a self-energy potential centered at the anions to cancel the energy associated with electron-hole self-interaction. To avoid an…
It is known from self-energy calculations in the electron gas and sp materials based on the GW approximation that a typical quasiparticle renormalization factor (Z factor) is approximately 0.7-0.8. Band narrowing in electron gas at rs = 4…
We present an approach to calculate the electronic structure for a range of materials using the quasiparticle self-consistent GW method with vertex corrections included in the screened Coulomb interaction W. This is achieved by solving the…
The band gaps of a few selected semiconductors/insulators are obtained from the self-consistent solution of the Hedin's equations. Two different schemes to include the vertex corrections are studied: (i) the vertex function of the…
We study in three dimensions the problem of a spatially homogeneous zero-temperature ideal Fermi gas of spin-polarized particles of mass $m$ perturbed by the presence of a single distinguishable impurity of mass $M$. The interaction between…
Self-consistent vertex corrected GW calculations have been performed to evaluate the equilibrium volume and corresponding bulk modulus of 3d transition metal vanadium. The study demonstrates the feasibility of this approach. The accuracy of…
We study the quantum corrections to the polarizability of isolated metallic mesoscopic systems using the loop-expansion in diffusive propagators. We show that the difference between connected (grand-canonical ensemble) and isolated…
The Rci-Q package is an extension to the GRASP2018 suite, improving the model of estimating the quantum-electrodynamics corrections to the energy levels. The Flambaum-Ginges radiative potential method is used to estimate the leading…