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We address an issue of how to accurately include the self energy effect of the screened electron-electron Coulomb interaction in the phonon-mediated superconductors from first principles. In the Eliashberg theory for superconductors, self energy is usually decomposed using the $2times 2$ Pauli matrices in the electron-hole space. We examine how the diagonal ($sigma_{0}$ and $sigma_{3}$) components, which results in the quasiparticle correction to the normal state, behave in the homogeneous electron gas in order to establish a norm of treating those components in real metallic systems. Within the $G_{0}W_{0}$ approximation, we point out that these components are non-analytic near the Fermi surface but their directional derivatives and resulting corrections to the quasiparticle velocity are nevertheless well defined. In the low-energy spectrum, we observe large cancellation between effects of these components and, without the numerically more tedious $sigma_{3}$ component, the effective mass is incorrectly increased. Feasible paths to manage this cancellation in the ab initio Eliashberg calculations are discussed.
We extend the two leading methods for the emph{ab initio} computational descrip tion of phonon-mediated superconductors, namely Eliashberg theory and density fu nctional theory for superconductors (SCDFT), to include plasmonic effects. Furth ermore,
We present a first-principles approach to describe magnetic and superconducting systems and the phenomena of competition between these electronic effects. We develop a density functional theory: SpinSCDFT, by extending the Hohenberg-Kohn theorem and
We formulate an efficient scheme to perform Migdal-Eliashberg calculation considering the retardation effect from first principles. While the conventional approach requires a huge number of Matsubara frequencies, we show that the intermediate represe
We present an ab initio $GW$ self-energy calculation of the electronic structure of LaNiO$_2$. With respect to density-functional theory we find that in $GW$ the La 4$f$ states undergo an important $+$2 eV upward shift from the Fermi level, while the
The Eliashberg theory of superconductivity accounts for the fundamental physics of conventional electron-phonon superconductors, including the retardation of the interaction and the effect of the Coulomb pseudopotential, to predict the critical tempe