Related papers: Point-charge electrostatics in disordered alloys
Point-proton density distributions are deduced for 130 stable nuclei from $^{7}\mathrm{Li}$ to $^{232}\mathrm{Th}$ from nuclear charge densities determined in elastic electron scattering. There are 171 cases are presented in model-dependent…
Fluctuating-charge models are computationally efficient methods of treating polarization and charge-transfer phenomena in molecular mechanics and classical molecular dynamics simulations. They are also theoretically appealing as they are…
We introduce an electrostatic model including charge transfer, which is shown to account for the observed B-site ordering in Pb-based perovskite alloys. The model allows charge transfer between A-sites and is a generalization of Bellaiche…
The properties of two measures of charge fluctuations D and Delta Phi_q are discussed within several toy models of nuclear collisions. In particular their dependence on mean particle multiplicity, multiplicity fluctuations and net electric…
Partial charges are a central concept in general chemistry and chemical biology, yet dozens of different computational definitions exist. In prior work [M. Cho et al., \textit{ChemPhysChem} {\bf 21}, 688-696 (2020)], we showed that these…
The electron-electron interaction correction of first order in $1/Z$ to the one-electron part of the nuclear recoil effect on binding energies in atoms and ions is considered within the framework of the rigorous QED approach. The…
We develop in detail a model of the charge order in NbSe$_2$ deriving from a strong electron-phonon coupling dependent on the ingoing and outgoing electron momenta as well as the electronic orbitals scattered between. Including both…
We found analytical solution for the time evolution of localized electron density in a system of two coupled single-level quantum dots (QDs) connected with continuous spectrum states in the presence of Coulomb interaction. This solution…
The study of the electrical double layer lies at the heart of colloidal and interfacial science. The standard mean-field Poisson-Boltzmann (PB) theory is incapable of modeling many phenomena originated from ion correlation. An important…
The study of correlations between opposite-sign charge pairs and particle-ratio fluctuations can provide a powerful tool to probe the properties of the quark-gluon plasma (QGP). It has been suggested that the existence of a QCD phase…
Charge fluctuations for a baryon-neutral quark-gluon plasma have been calculated in lattice gauge theory. These fluctuations provide a well-posed rigorous representation of the quark chemistry of the vacuum for temperatures above T_c >~ 155…
Employing a large-N scheme of the layered t-J model with the long-range Coulomb interaction, which captures fine details of the charge excitation spectra recently observed in cuprate superconductors, we explore the role of the charge…
We analyzed the localized charge dynamics in the system of $N$ interacting single-level quantum dots (QDs) coupled to the continuous spectrum states in the presence of Coulomb interaction between electrons within the dots. Different dots…
A reliable prediction of interatomic force constants in disordered alloys is an outstanding problem. This is due to the need for a proper treatment of multisite (atleast pair) correlation within a random environment. The situation becomes…
Differences in core level binding energies between atoms belonging to the same chemical species can be related to differences in their intra- and extra-atomic charge distributions, and differences in how their core holes are screened. With…
The fluctuations of the charge on an electrode contain information on the microscopic correlations within the adjacent fluid and their effect on the electronic properties of the interface. We investigate these fluctuations using molecular…
The measurement of event-by-event fluctuations and charge-dependent particle correlations are used to study properties of nuclear matter at high temperatures as produced in ultrarelativistic heavy-ion collisions. We present results for…
We consider a quantum battery modeled as a set of N independent two-level quantum systems driven by a time dependent classical source. Different figures of merit, such as stored energy, time of charging and energy quantum fluctuations…
Charge transfer in concentrated alloys governs their structural stability and functional response, and can be strongly perturbed by lattice defects. In high-entropy alloys, the interaction between edge dislocations and volume misfit plays a…
Understanding the physical origin of deformation mechanisms in random alloys requires an understanding of their average behavior and, equally important, the role of local fluctuations around the average. Material properties of random alloys…