Related papers: Going Beyond the Cumulant Approximation II:Power S…
In the context of a single electron two orbital Holstein system coupled to dispersionless bosons, we develop a general method to correct single particle Green's function using a power series correction(PSC) scheme. We then outline the…
The cumulant expansion is a powerful approach for including correlation effects in electronic structure calculations beyond the GW approximation. However, current implementations are incomplete since they ignore terms that lead to partial…
A new cumulant-based $GW$ approximation for the retarded one-particle Green's function is proposed, motivated by an exact relation between the improper Dyson self-energy and the cumulant generating function. Qualitative aspects of this…
Most currently used approximations for the one-particle Green's function G in the framework of many-body perturbation theory, such as Hedin's GW approximation or the cumulant GW+C approach, are based on a linear response approximation for…
Green's function methods within many-body perturbation theory provide a general framework for treating electronic correlations in excited states. Here we investigate the cumulant form of the one-electron Green's function based on the…
We present a novel, highly efficient yet accurate analytical approximation for the Green's function of a Holstein polaron. It is obtained by summing all the self-energy diagrams, but with each self-energy diagram averaged over the momenta…
The cumulant expansion of the Green's function is a computationally efficient beyond-$GW$ approach renowned for its significant enhancement of satellite features in materials. In contrast to the ubiquitous $GW$ approximation of many-body…
We consider the cumulant expansion of the PAM employing the hybridization as perturbation (Phys. Rev. B 50, 17933 (1994)), and we obtain formally exact one-electron Green's functions (GF). These GF contain effective cumulants that are as…
We examine the range of validity of the second-order cumulant expansion (CE) for the calculation of spectral functions, quasiparticle properties, and mobility of the Holstein polaron. We devise an efficient numerical implementation that…
The spectral functions of the one-band half-filled 1D Hubbard chain are calculated using the exchange-correlation potential formalism developed recently. The exchange-correlation potential is adopted from the exact potential derived from…
Calculations of excited states in Green's function formalism often invoke the diagonal approximation, in which the quasiparticle states are taken from a mean-field calculation. Here, we extend the stochastic approaches applied in the…
We present a new, highly efficient yet accurate approximation for the Green's functions of dressed particles, using the Holstein polaron as an example. Instead of summing a subclass of diagrams (e.g. the non-crossed ones, in the…
In polar semiconductors and insulators, the Fr\"ohlich interaction between electrons and long-wavelength longitudinal optical phonons induces a many-body renormalization of the carrier effective masses and the appearence of characteristic…
We present a calculation of the spectral properties of a single charge doped at a Cu($3d$) site of the Cu-F plane in KCuF$_{3}$. The problem is treated by generating the equations of motion for the Green's function by means of subsequent…
In this work we investigate the ability of the cumulant expansion (CE) to capture one-particle spectral information in electron-phonon coupled systems at both zero and finite temperatures. In particular, we present a comprehensive study of…
A rigorous derivation of the density functional in the Hohenberg-Kohn theory is presented. With no assumption regarding the magnitude of the electric coupling constant $e^2$ (or correlation), this work provides a firm basis for…
We show how to systematically improve the Momentum Average (MA)approximation for the Green's function of a Holstein polaron, bysystematically improving the accuracy of the self-energy diagrams in such a way that they can still all be summed…
A mathematical framework is constructed for the sum of the lowest N eigenvalues of a potential. Exactness is illustrated on several model systems (harmonic oscillator, particle in a box, and Poschl-Teller well). Its order-by-order…
Shell corrections of the finite deformed Woods-Saxon potential are calculated using the Green's function method and the generalized Strutinsky smoothing procedure. They are compared with the results of the standard prescription which are…
We describe an approach for calculations of phonon contributions to the electron spectral function, including both quasiparticle properties and satellites. The method is based on a cumulant expansion for the retarded one-electron Green's…