Related papers: Benchmarking GW against exact diagonalization for …
We calculate the ground-state properties of well deformed, even-even N=Z nuclei in the region between Ni-56 and Sn-100 within two different approaches, focusing on the binding energy and deformation and pairing properties. First, we employ…
We study the ground state energy and ground states of systems coupling non-relativistic quantum particles and force-carrying Bose fields, such as radiation, in the quasi-classical approximation. The latter is very useful whenever the…
We study the spectral function of the homogeneous electron gas using many-body perturbation theory and the cumulant expansion. We compute the angle-resolved spectral function based on the GW approximation and the `GW plus cumulant'…
We investigate the charging energy level statistics of disordered interacting electrons in quantum dots by numerical calculations using the Hartree approximation. The aim is to obtain a global picture of the statistics as a function of…
We show that quasiparticle (QP) energies as calculated in the $GW$ approximation converge to the wrong value using the projector augmented wave (PAW) method, since the overlap integrals between occupied orbitals and high energy, plane wave…
Over the years, Hedin's $GW$ self-energy has been proven to be a rather accurate and simple approximation to evaluate electronic quasiparticle energies in solids and in molecules. Attempts to improve over the simple $GW$ approximation, the…
Coupled-cluster (CC) theory and Green's function many-body perturbation theory (MBPT) have long evolved as distinct yet complementary frameworks for describing electronic correlation. While CC methods employ exponential wavefunction…
Calculations of ground-state and excited-state properties of materials have been one of the major goals of condensed matter physics. Ground-state properties of solids have been extensively investigated for several decades within the…
We present a many-body $GW$ formalism for quantum subsystems embedded in discrete polarizable environments containing up to several hundred thousand atoms described at a fully ab initio random phase approximation level. Our approach is…
The GW method, which can describe accurately electronic excitations, is one of the most widely used ab initio electronic structure technique and allows the physics of both molecular and condensed phase materials to be studied. However, the…
The CDW Hartree-Fock state at half filling and half electron per unit cell is examined. Firstly, an exact solution in terms of Bloch-like states is presented. Using this solution we discuss the dynamics near half filling and show the mass…
Although the GW approximation is recognized as one of the most accurate theories for predicting materials excited states properties, scaling up conventional GW calculations for large systems remains a major challenge. We present a powerful…
Gross-Oliveira-Kohn density-functional theory (GOK-DFT) for ensembles is the DFT analog of state-averaged wavefunction-based (SA-WF) methods. In GOK-DFT, the state-averaged (so-called ensemble) exchange-correlation (xc) energy is described…
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…
A model to describe electronic correlations in energy bands is considered. The model is a generalization of the conventional Hubbard model that allows for the fact that the wavefunction for two electrons occupying the same Wannier orbital…
We present an exact diagonalization study of the spectral properties of bosons harmonically confined in a quasi-2D plane and interacting via repulsive Gaussian potential. We consider the lowest $100$ energy levels for systems of $N=12, 16$…
We investigate an extended version of the periodic Anderson model (the so-called periodic Anderson-Hubbard model) with the aim to understand the role of interaction between conduction electrons in the formation of the heavy-fermion and…
We examine the global performance of an extended self-consistent mean field theory of 2+ excitations in even-even nuclei. 518 nuclei are included in our survey, comprising all but 39 of the known nuclei tabulated by Raman et al. The theory…
We develop a low energy effective field theory of a mixture of two species of pseudospin-1/2 atoms with interspecies spin-exchange, in addition to density-density interaction. This approach is beyond the single orbital-mode approximation.…
A new method for extracting ensemble Kohn-Sham potentials from accurate excited state densities is applied to a variety of two electron systems, exploring the behavior of exact ensemble density functional theory. The issue of separating the…