Related papers: Efficient ab initio Migdal-Eliashberg calculation …
We investigate the numerical behavior of the Eliashberg equations for phonon-mediated superconductivity, incorporating normal-state self-energy calculations within the consistent $GW_{0}$ approximation. We account for the full wavenumber…
In recent years, Chebyshev polynomial expansions of tight-binding Green's functions have been successfully applied to the study of a wide range of spectral and transport properties of materials. However, the application of the Chebyshev…
We compute quasi-exact \emph{ab initio} path-integral Monte Carlo results for the Matsubara Green's function of the uniform electron gas (UEG) at finite temperature over a broad range of coupling strengths ($r_s=1,\dots,10)$. This allows us…
We show an efficient way to compute the electron-phonon coupling constant, $\lambda$, and the superconducting transition temperature, Tc from first-principles calculations. This approach gives rapid convergence of Tc with respect to the…
In this paper, new representations of the Green's function for an acoustic d-dimensional half-space problem with impedance boundary conditions are presented. The main features of the new representation are: a) in addition to additive terms…
We demonstrate an efficient nonequilibrium Green's function transport calculation procedure based on the real-space finite-difference method. The direct inversion of matrices for obtaining the self-energy terms of electrodes is…
The high-temperature superconducting state in sulfur trihydride ($T_{C}=203$~K) has been investigated in the context of the non-adiabatic and anharmonic effects. The Migdal-Eliashberg equations and the extended Eliashberg equations, which…
A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an iterative solver algorithm of the Green's function and the…
The retarded Green function for linear field perturbations of black hole spacetimes is notoriously difficult to calculate. One of the difficulties is due to a Dirac-$\delta$ divergence that the Green function possesses when the two…
Motivated by the recent experimental progress in studying conventional and unconventional superconductors in a pump-probe setup, we perform a comprehensive theoretical analysis of the nonlinear response of a diffusive BCS conventional…
We calculate the one-electron Green's function of the 2D attractive Hubbard model by coupling the electrons to pair fluctuations. The latter are approximated by homogeneous amplitude fluctuations and phase correlations corresponding to the…
The superconductivity in the Bi-II phase of elemental Bismuth (transition temperature $T_{\rm c}\simeq3.92$ K at pressure $p\simeq 2.80$ GPa) was studied experimentally by means of the muon-spin rotation as well as theoretically by using…
We present a method to considerably improve the numerical performance for solving Eliashberg-type coupled equations on the imaginary axis. Instead of the standard practice of introducing a hard numerical cutoff for treating the infinite…
We derive an alternative representation for the $f$-electron spectral function of the Falicov-Kimball model from the original one proposed by Brandt and Urbanek. In the new representation, all calculations are restricted to the real time…
Motivated by the recently developed classical spin model for Migdal-Eliashberg theory, we develop new numerical and analytical methods based on this spin-chain representation and apply these methods to the Bogoliuov-Tomachov-Morel-Anderson…
The Migdal-Eliashberg (ME) formalism provides a reliable framework for describing phonon-mediated superconductivity in the adiabatic regime, where the electronic Fermi energy exceeds the characteristic phonon energy. In this work, we go…
We present an alternative representation for the anisotropic Eliashberg equations of superconductivity, whose numerical solution yields an efficiency gain of several orders of magnitude with respect to the conventional representation in…
In this paper, we calculate the superconducting critical temperature as a function of pressure, Tc(P ), using a method based on the functional derivative of the critical temperature with the Eliashberg function, dTc/dA2F. The coulomb…
A method based on separated integration to estimate anharmonic corrections to energy and vibration of molecules in a second-order diagrammatic vibrational many-body Green's function formalism has already been presented. A severe bottleneck…
We present a formulation of a nonequilibrium Green's function method for thermal current in nanojunction atomic systems with nonlinear interactions. This first-principle approach is applied to the calculation of the thermal conductance in…