Related papers: Shape and Energy Consistent Pseudopotentials for C…
Cluster dynamical mean field methods are used to calculate the normal and anomalous components of the electron self energy of the two dimensional Hubbard model. From these the evolution of the superconducting gap and the momentum dependent…
The random phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange energy, represents the state-of-the-art exchange-correlation functional within density-functional theory (DFT). However, the standard…
We apply point-particle effective field theory (PPEFT) to electronic and muonic 4He+ ions, and use it to identify linear combinations of spectroscopic measurements for which the theoretical uncertainties are much smaller than for any…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…
The GW approximation for the electronic self-energy is an important tool for the quantitative prediction of excited states in solids, but its mathematical exploration is hampered by the fact that it must, in general, be evaluated…
We use analytic and numerical methods to determine the density of states of a one-dimensional electron gas coupled to a spatially random quasi-static back-scattering potential of long correlation length. Our results provide insight into the…
We consider pseudogap effects for electrons interacting with gapless modes. We study both generic 1D semiconductors with acoustic phonons and incommensurate charge density waves. We calculate the subgap absorption as it can be observed by…
Within the model of partial chemical equilibrium (PCE) we calculate the multiplicity ratios of selected unstable resonances to given stable species. We focus on those ratios that have been measured either in Pb+Pb collisions at the LHC or…
Physical and chemical systems can be characterized by their natural frequency and energy scales. It is hardly an exaggeration that most of what we know about such systems, from the acoustics of a violin to the energy levels of atoms, comes…
We present a method to efficiently combine the computation of electron-electron and electron-phonon self-energies, which enables the evaluation of electron-phonon coupling at the $G_0W_0$ level of theory for systems with hundreds of atoms.…
We present Standard Model predictions for the complete set of phenomenologically relevant electroweak precision pseudo-observables related to the Z-boson: the leptonic and bottom-quark effective weak mixing angles $\sin^2\theta_{\rm…
Superconducting microwave circuits incorporating nonlinear devices, such as Josephson junctions, are one of the leading platforms for emerging quantum technologies. Increasing circuit complexity further requires efficient methods for the…
We present quasiparticle (QP) energies from fully self-consistent $GW$ (sc$GW$) calculations for a set of prototypical semiconductors and insulators within the framework of the projector-augmented wave methodology. To obtain converged…
An ab-initio pseudopotential calculation using density functional theory within the local density approximation has been performed to investigate the electronic properties of TlSe which is of chain-like crystal geometry. The energy bands…
The combination of density functional theory with other approaches to the many-electron problem through the separation of the electron-electron interaction into a short-range and a long-range contribution is a promising method, which is…
The accuracy of two widely used scalar-relativistic Hartree-Fock pseudopotentials, the Trail-Needs-Dirac-Fock (TNDF) and the Burkatzki-Filippi-Dolg (BFD) pseudopotentials, is assessed. The performance of the pseudopotentials is tested for a…
Local pseudopotential (LPP) is an important component of the orbital free density functional theory (OF-DFT), which is a promising large scale simulation method that can still maintain information of electron state in materials. Up to date,…
A way to account for correlations between the chemically active (valence) and innermore (core) electrons in the framework of the generalized relativistic effective core potential (GRECP) method is suggested. The "correlated" GRECP's…
Generating energy functions for heterogeneous systems suitable for quantitative and predictive atomistic simulations is a challenging undertaking. The present work combines a cluster-based approach with electronic structure calculations at…
This review describes the main experimental facts and a number of theoretical models concerning the pseudogap state in high - temperature superconductors. On the phase diagram of HTSC - cuprates the pseudogap state is observed in the region…