Related papers: Fully dynamic G3W2 self-energy for finite systems:…
We introduce a method that allows for the calculation of quasi-particle spectra in the GW approximation, yet avoiding any explicit reference to empty one-electron states. This is achieved by expressing the irreducible polarizability…
We present a self-consistent approach for computing the correlated quasiparticle spectrum of charged excitations in iterative $\mathcal{O}[N^5]$ computational time. This is based on the auxiliary second-order Green's function approach [O.…
Within the framework of the full potential projector-augmented wave methodology, we present a promising low-scaling $GW$ implementation. It allows for quasiparticle calculations with a scaling that is cubic in the system size and linear in…
We present an approach for GW calculations of quasiparticle energies with quasi-quadratic scaling by approximating high-energy contributions to the Green's function in its Lehmann representation with effective stochastic vectors. The method…
We present GW calculations of molecules, ordered and disordered solids and interfaces, which employ an efficient contour deformation technique for frequency integration, and do not require the explicit evaluation of virtual electronic…
Employing a local formula for the electron-electron interaction energy, we derive a self-consistent approximation for the total energy of a general $N$-electron system. Our scheme works as a local variant of the Thomas-Fermi approximation…
Optimized measurements for the susceptibility, self-energy, as well as three-leg and four-leg vertex functions are introduced for the continuous-time hybridization expansion quantum Monte Carlo solver for the impurity model in presence of a…
The Hubbard model on a semi-infinite three-dimensional lattice is considered to investigate electron-correlation effects at single-crystal surfaces. The standard second-order perturbation theory in the interaction U is used to calculate the…
In recent years, Green's function methods have garnered considerable interest due to their ability to target both charged and neutral excitations. Among them, the well-established $GW$ approximation provides accurate ionization potentials…
Error estimates are proved for finite element approximations to the solution of second-order hyperbolic partial differential equations with coefficients varying in both space and time. Optimal rates of convergence in the energy norm are…
We prove an exact equality between the minimal quadratic control energy and the squared normal-quantile gap for terminal halfspaces in linear-Gaussian systems with additive control and quadratic effort $E(u) = \tfrac12\!\int u^\top M u\,dt$…
The two-loop electron self-energy correction is one of the most problematic QED effects and, for a long time, was the dominant source of uncertainty in the theoretical prediction of the bound-electron $g$ factor in hydrogen-like ions. A…
By combining the Baeriswyl wavefunction with equilibrium and time-dependent variational principles, we develop a non-equilibrium formalism to study quantum quenches for two dimensional spinless fermions with nearest-neighbour hopping and…
By recasting the non-linear frequency-dependent $GW$ quasiparticle equation into a linear eigenvalue problem, we explain the appearance of multiple solutions and unphysical discontinuities in various physical quantities computed within the…
We study leading-order many-body effects of longitudinal optical (LO) phonons on electronic properties of one-dimensional quantum wire systems. We calculate the quasiparticle properties of a weakly polar one dimensional electron gas in the…
We present a quasiparticle self-consistent $GW$ (QSGW) implementation for periodic systems based on crystalline Gaussian basis sets. Our QSGW approach is based on a full-frequency analytic continuation GW scheme with Brillouin zone sampling…
Hedin's equations for the electron self-energy and the vertex were originally derived for a many-electron system with Coulomb interaction. In recent years it has been increasingly recognized that spin interactions can play a major role in…
We study the low-energy behavior of the vertex function of a single Anderson impurity away from half-filling for finite magnetic fields, using the Ward identities with careful consideration of the anti-symmetry and analytic properties. The…
Using non-equilibrium renormalized perturbation theory to second order in the renormalized Coulomb repulsion, we calculate the lesser $\Sigma^<$ and and greater $\Sigma^>$ self-energies of the impurity Anderson model, which describes the…
We present a $GW$ space-time algorithm for periodic systems in a Gaussian basis including spin-orbit coupling. We employ lattice summation to compute the irreducible density response and the self-energy, while we employ $k$-point sampling…