Related papers: Image charge interaction correction in charged-def…
We present a general method for determining screened Coulomb parameters in molecular assemblies, in particular organic molecular crystals. This allows us to calculate the interaction parameters used in a generalized Hubbard model…
Supercell models are often used to calculate the electronic structure of local perturbations from the ideal periodicity in the bulk or on the surface of a crystal or in wires. When the defect or adsorbent is charged, a jellium counter…
The calculation of the full counting statistics of the charge within a finite interval of an interacting one-dimensional system of electrons is a fundamental, yet as of now unresolved problem. Even in the non-interacting case, charge…
The accuracy of the information that can be extracted from electron diffraction patterns is often limited by the presence of optical distortions. Existing distortion characterization techniques typically require knowledge of the reciprocal…
A new method to calculate spectroscopic properties of deformed nuclei is proposed: configuration interaction on top of projected density functional theory (CI-PDFT). The general concept of this approach is discussed in the framework of…
We propose a new finite-size correction scheme for the formation energy of charged defects and impurities in one-dimensional systems within density functional theory. The energy correction in a supercell geometry is obtained by solving the…
In the hot, dense plasma of solar and stellar interiors, the Coulomb interaction is screened by the surrounding plasma. Although the standard Salpeter approximation for static screening is widely accepted and used in stellar modeling, the…
Understanding how the complex intermolecular- and nano-structure present in organic semiconductor donor-acceptor blends impacts charge carrier motion, interactions, and recombination behavior is a critical fundamental issue with a…
We study the role of the effective Coulomb interaction strength and length on the dynamics of nucleons in conditions according to those in a neutron star's crust. Calculations were made with a semi-classical molecular dynamics model,…
Gibbs measures, such as Coulomb gases, are popular in modelling systems of interacting particles. Recently, we proposed to use Gibbs measures as randomized numerical integration algorithms with respect to a target measure $\pi$ on $\mathbb…
Thick, Charge Coupled Devices (CCDs) have recently been explored for applied physics, such as nuclear explosion monitoring, and dark matter detection purposes. When run in fully-depleted mode, these devices are sensitive detectors for…
We investigate the instabilities that may lead to the breakdown of the Luttinger liquid in the small-diameter (5,0) nanotubes, paying attention to the competition between the effective interaction mediated by phonon-exchange and the Coulomb…
We study the competition between long- and short-range interactions among charge carriers in strongly-correlated electronic systems employing a new method which combines the density-matrix renormalization-group technique with a…
Weakly interacting massive particles (WIMPs) form a promising solution to the dark matter problem and many experiments are now searching for these particles. Using effective field theories to describe the interaction of the WIMP with the…
We present a novel and efficient real space, semiclassical model of electric polarization with general applicability to any system in which screening plays an important role. This model includes the effects of both atomic and bond…
Small system sizes are a well known source of error in DFT calculations, yet computational constraints frequently dictate the use of small supercells, often as small as 96 atoms in oxides and compound semiconductors. In ionic compounds,…
Recently there have been several proposals of materials predicted to be nodal-ring semimetals, where zero energy excitations are characterized by a nodal ring in the momentum space. This class of materials falls between the Dirac-like…
A double hybrid approximation using the Coulomb-attenuating method (CAM-DH) is derived within range-separated density-functional perturbation theory, in the spirit of a recent work by Cornaton {\it et al.} [Phys. Rev. A 88, 022516 (2013)].…
Using the density functional theory (DFT) with the relativistic mean field (RMF) model, we study the non-uniform state of nuclear matter, ``nuclear pasta''. We self-consistently include the Coulomb interaction together with other…
The triple alpha reaction is a key to $^{12}$C production and is expected to occur in weakly-coupled, thermal plasmas as encountered in normal stars. We investigate how Coulomb screening affects the structure of a system of three alpha…