Related papers: Conserving quasiparticle calculations for small me…
We calculate from first principles the electronic structure, relaxation and magnetic moments in small Fe particles, applying the numerical local orbitals method in combination with norm-conserving pseudopotentials. The accuracy of the…
We investigate the interplay of particle number, N, and structural properties of selected clusters with N=12 up to N=562 by employing Gupta potentials parameterized for Aluminum and extensive Monte-Carlo simulations. Our analysis focuses on…
Electron capture and beta-decay rates on nuclei in the mass range A=45-65 play an important role in many astrophysical environments. The determination of these rates by large-scale shell model calculations is desirable, but it requires to…
Accurately calculating band gaps for given crystal structures is highly desirable. However, conventional first-principles calculations based on density functional theory (DFT) within the local density approximation (LDA) fail to predict…
We perform $GW$ calculations on atoms and diatomic molecules at different levels of self-consistency and investigate the effects of self-consistency on total energies, ionization potentials and on particle number conservation. We further…
Background: The major challenge for nuclear theory is to describe and predict global properties and collective modes of atomic nuclei. Of particular interest is the response of the nucleus to a time-dependent external field that impacts the…
(shortened) We develop and test a method to compute mass and auto-correlation functions of rich clusters of galaxies from linear density fluctuations, based on the formalism of Gaussian peaks (Bardeen et al 1986). The essential, new…
We present an extension of the pair coupled cluster doubles (p-CCD) method to quasiparticles and apply it to the attractive pairing Hamiltonian. Near the transition point where number symmetry gets spontaneously broken, the proposed…
We introduce an extension of the dynamical mean field approximation (DMFA) which retains the causal properties and generality of the DMFA, but allows for systematic inclusion of non-local corrections. Our technique maps the problem to a…
We present low-scaling algorithms for $GW$ and constrained random phase approximation based on a symmetry-adapted interpolative separable density fitting (ISDF) procedure that incorporates the space-group symmetries of crystalline systems.…
The physics of electronic energy level alignment at interfaces formed between molecules and metals can in general be accurately captured by the \emph{ab initio} $GW$ approach. However, the computational cost of such $GW$ calculations for…
The quantum states of a system of particles in a finite spatial domain in general consist of a set of discrete energy eigenvalues; these are usually grouped into bunches of degenerate or close-lying levels, called shells. In fermionic…
We study the potential of a large future weak-lensing survey to constrain dark energy properties by using both the number counts of detected galaxy clusters (sensitive primarily to density fluctuations on small scales) and tomographic…
Within the infinite series of ring (or bubble) diagram approximation for the electronic self-energy as appropriate for the long-range Coulomb interaction, we calculate the density-dependent T=0 Fermi liquid quasiparticle effective mass…
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 and benchmark a self-energy approach for quasiparticle energy calculations that goes beyond Hedin's $GW$ approximation by adding the full second-order self-energy (FSOS-$W$) contribution. The FSOS-$W$ diagram involves two…
We consider a general energy functional for phase coexistence models, which comprises the case of Banach norms in the gradient term plus a double-well potential. We establish density estimates for $Q$-minima. Namely, the state parameters…
An important quantity in electronic systems is the quasiparticle scattering rate (QPSR). A related optical scattering rate (OSR) is routinely extracted from optical data, and, while it is not the same as the QPSR, it nevertheless displays…
We report the successful adaptation of the quasi-boson approximation, a technique traditionally employed in nuclear physics, to the analysis of the two-dimensional electron gas. We show that the correlation energy estimated from this…
We present recent shell-model calculations of the gamma-decay in sd-pf and pf-shell nuclei. We focus on the M1 part of the dipole strength which was shown to exhibit interesting low-energy effects, in particular a low-energy enhancement…