Related papers: Fully self-consistent GW calculations for atoms an…
In our work we construct a Hamiltonian, whose eigenstates approximate the solutions of the self-consistent Hartree-Fock equations for nonrelativistic atoms and ions. Its eigenvalues are given by completely algebraic expressions and the…
In contrast to the conventional treatment of gauge theories, in the background-field method the Ward identities for connected Green functions are not violated by Dyson summation of self-energies in finite orders of perturbation theory.…
Dynamical potentials appear in many advanced electronic-structure methods, including self-energies from many-body perturbation theory, dynamical mean-field theory, electronic-transport formulations, and many embedding approaches. Here, we…
We present an implementation of the $GW$ space-time approach that allows cubic-scaling all-electron calculations with standard Gaussian basis sets without exploiting any localization nor sparsity considerations. The independent-electron…
The general problem of representing the Greens function $G(k,z)$ in terms of self energy, in field theories lacking Wick's theorem, is considered. A simple construction shows that a Dyson like representation with a self energy $\Sigma(k,z)$…
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…
We apply the Green function formalism for $t-\bar t$ production and decay near threshold in a study of the effects due to the momentum dependent width for such a system. We point out that these effects are likely to be much smaller than…
The function $y = g(x) = \mathrm{log}\big(W(e^x)\big)$, where $W()$ denotes the Lambert W function, is the solution to the equation $y + e^y = x$. It appears in various problem situations, for instance the calculation of current-voltage…
We study the energy-critical wave equation in three dimensions, focusing on its ground state soliton, denoted by $W$. Using the Poincar\'e symmetry inherent in the equation, boosting $W$ along any timelike geodesic yields another solution.…
For a system of correlated electrons, the Luttinger-Ward functional provides a link between static thermodynamic quantities on the one hand and single-particle excitations on the other. The functional is useful to derive several general…
The single particle energies obtained in a Kohn--Sham density functional theory (DFT) calculation are generally known to be poor approximations to electron excitation energies that are measured in transport, tunneling and spectroscopic…
For smooth solutions to Maxwell's equations sourced by a smooth charge-current distribution $j_a$ in stationary, asymptotically flat spacetimes, one can prove an energy conservation theorem which asserts the vanishing of the sum of (i) the…
This paper investigates the influence of the basis set on the GW self-energy correction in the full-potential linearized augmented-plane-wave (LAPW) approach and similar linearized all-electron methods. A systematic improvement is achieved…
We substantiate the need for account of the proper electromagnetic field of the electron in the canonical problem of hydrogen in relativistic quantum mechanics. From mathematical viewpoint, the goal is equivalent to determination of the…
We have postulated a single pole for the self-energy looking for the consequences on the one-particle Green function, G(k,w), in the Hubbard model. We find that G(k,w) satisfies the first two sum rules or moments of Nolting (Z. Physik 225,…
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…
Solving the Euler equation which corresponds to the energy minimum of a density functional expressed in orbital-free form involves related but distinct computational challenges. One is the choice between all-electron and pseudo-potential…
The self-consistent GW{\Gamma} method satisfies the Ward-Takahashi identity (i.e., the gauge invariance or the local charge continuity) for arbitrary energy ($\omega$) and momentum ($\bf q$) transfers. Its self-consistent first-principles…
The self-consistent GW band gaps are known to be significantly overestimated. We show that this overestimation is, to a large extent, due to the neglect of the contribution of the lattice polarization to the screening of the…
The equations which determine the response of a charged particle moving in a magnetic field to an incident gravitational wave(GW) are derived in the linearized approximation to general relativity. We briefly discuss several astrophysical…