Related papers: The Effect of Off-Center $\sigma$-Hole on the Atom…
To contribute to the understanding of noncovalent binding of halogenated molecules with a biological activity, electrostatic potential (ESP) maps of more than 2,500 compounds were thoroughly analysed. A peculiar region of positive ESP,…
An anisotropic charge distribution on individual atoms, such as e.g. {\sigma}-hole, may strongly affect material and structural properties of systems. Nevertheless, subatomic resolution of such anisotropic charge distributions represents a…
We derive the $\sigma$-model for granular metals. It is valid for any relation between the temperature, $T$, and the grain mean level spacing. The continuum limit of the $\sigma$-model describes non-perturbative charging effects in…
Partial atomic charges are a useful and intuitive concept for understanding molecular properties and chemical reaction mechanisms, showing how changes in molecular geometry can affect the flow of electronic charge within a molecule.…
Halogen bond (X-bond) is a noncovalent interaction between a halogen atom and an electron donor. It is often rationalized by a region of the positive electrostatic potential on the halogen atom, so-called $\sigma$-hole. The X-bond strength…
The effects of strong Coulomb correlations in dense three-dimensional electron-hole plasmas are studied by means of unbiased direct path integral Monte Carlo simulations. The formation and dissociation of bound states, such as excitons and…
Accounting for geometry-induced changes in the electronic distribution in molecular simulation is important for capturing effects such as charge flow, charge anisotropy and polarization. Multipolar force fields have demonstrated their…
The collider experiments at the Tevatron and the LHC provide us the possibility of probing the existence of a light charged Higgs boson. In this paper we study semi-leptonic decay of a polarized top quark via the charged Higgs boson…
In this work, we report an interesting observation of partial ionic bonding due to charge transfer in homogeneous sodium clusters. The charge transfer causes the electronic charge to accumulate on the surface, and the resulting charges on…
Plasma effect is observed in CCDs exposed to heavy ionizing alpha-particles with energies in the range 0.5 - 5.5 MeV. The results obtained for the size of the charge clusters reconstructed on the CCD pixels agrees with previous measurements…
We extend the semiclassical two-step model for strong-field ionization that describes quantum interference and accounts for the Coulomb potential beyond the semiclassical perturbation theory to the hydrogen molecule. In the simplest case of…
With an eye on dust particles immersed into an ionized gas, we study the effect of a negative charge on the scattering of light by a dielectric particle with a strong transverse optical phonon resonance in the dielectric constant. Surplus…
After a brief introduction to the sigma model in QCD, we discuss how the sigma model can be relevant in the Standard Model. It is shown to be useful in the analysis of weak processes, such as the study of $\Delta {I} = 1/2$ rule, and in the…
In atoms spin-orbit coupling (SOC) cannot raise the angular momentum above a maximum value or lower it below a minimum. Here we show that this need not be the case in materials built from nanoscale structures including multi-nuclear…
We study the effect of geometric constraints on the formation of indirect excitonic complexes with excess charge by considering the problem of two identical electrons moving in half-space subject to mutual Coulomb repulsion and the Coulomb…
Atomic partial charges are crucial parameters in molecular dynamics (MD) simulation, dictating the electrostatic contributions to intermolecular energies, and thereby the potential energy landscape. Traditionally, the assignment of partial…
We perform numerical-relativity simulations of high-energy head-on collisions of charged black holes with the same charge-to-mass ratio $\lambda$. We find that electromagnetic interactions have subdominant effects already at low Lorentz…
Using ab-initio electronic structure methods we have investigated the ground state structures and properties of neutral and charged SiH$_{m}$(m=1-4) and Si$_{2}$H$_{n}$(n=1-6) clusters which are produced in the plasma enhanced chemical…
Most of our current knowledge on condensed matters contains a default assumption: the matters are neutral charged. On the other hand, the two-dimension(2D) vortex-Coulomb gas charge analogy is a very successful theoretical tool in…
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…