Related papers: Beyond quasi-particle self-consistent $GW$ for mol…
In this work we include electron-electron interaction beyond Hartree-Fock level in our non-equilibrium Green's function approach by a crude form of GW through the Single Plasmon Pole Approximation. This is achieved by treating all…
Molecule-metal interfaces have a broad range of applications in nanoscale materials science. Accurate characterization of their electronic structures from first-principles is key in understanding material and device properties. The GW…
Using the recently developed version of the GW method employing the one-site approximation and self-consistent quasiparticle basis set we calculated the electronic structure of 3d and 4d transition metals at experimental atomic volumes. The…
We present a nontrivial model system of interacting electrons that can be solved analytically in the GW approximation. We obtain the particle number from the GW Green's function strictly analytically, and prove that there is a genuine…
We study the aspects of quasi-local energy associated with a $2-$surface $\Sigma$ bounding a space-like domain $\Omega$ of a physical $3+1$ dimensional spacetime in the regime of gravity coupled to a gauge field. The Wang-Yau quasi-local…
We present a theoretical approach for ab initio calculations of the one-loop QED corrections to energy levels of heavy diatomic quasimolecules. This approach is based on the partial-wave expansion of the molecular wave and Green functions…
Green's function theory has emerged as a powerful many-body approach not only in condensed matter physics but also in quantum chemistry in recent years. We have developed a new all-electron implementation of the BSE@GW formalism using…
We describe a new implementation of the quasiparticle random phase approximation (QRPA) in axially-symmetric deformed nuclei with Skyrme and volume-pairing energy-density functionals. After using a variety of tests to demonstrate the…
Using a novel self-consistent implementation of Hedin's GW perturbation theory we calculate space and energy dependent self-energy for a number of materials. We find it to be local in real space and rapidly convergent on second-- to third--…
We present a relativistic correction scheme to improve the accuracy of 1s core-level binding energies calculated from Green's function theory in the $GW$ approximation, which does not add computational overhead. An element-specific…
Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi Heusler compounds have been calculated within the one-shot GW approximation in an all-electron framework without adjustable parameters. For Co2FeSi the many-body…
We derive the quantum Boltzmann equation (QBE) of composite fermions at/near the $\nu = 1/2$ state using the non-equilibrium Green's function technique. The lowest order perturbative correction to the self-energy due to the strong gauge…
We present an accurate approach to compute X-ray photoelectron spectra based on the $GW$ Green's function method, that overcomes shortcomings of common density functional theory approaches. $GW$ has become a popular tool to compute valence…
Methods of bound-state QED that treat the self-energy contributions to the Lamb shift within the partial-wave expansion usually face the problem of slow convergence of the latter. Inspired by an approach formulated in [J. Sapirstein and K.…
We investigate the influence of self-energy diagrams beyond the two-particle vertex level within dual fermion theory. Specifically, we calculate the local three-particle vertex and construct from it selected dual fermion self-energy…
We theoretically study the many-body effects of electron electron interaction on the single particle spectral function of doped bilayer graphene. Using random phase approximation, we calculate the real and imaginary part of the self-energy…
$GW$ is an accurate method for computing electron addition and removal energies of molecules and solids. In a conventional $GW$ implementation, however, its computational cost is $O(N^4)$ in the system size $N$, which prohibits its…
We propose a model intended to qualitatively capture the electron-electron interaction physics of two-dimensional electron gases formed near transition-metal oxide heterojunctions containing $t_{2g}$ electrons with a density much smaller…
We investigate the dynamical self-energy corrections of the electron-hole plasma due to electron-electron and electron-phonon interactions at the band edges of a quasi-one dimensional (1D) photoexcited electron-hole plasma. The…
Fully self-consistent GW (sc-GW) methods are now available to evaluate quasiparticle and spectral properties of various molecular and bulk systems. However, such techniques based on the full matrix of G and W are computationally demanding.…