Related papers: Electrostatic internal energy using the method of …
We address periodic-image errors arising from the use of periodic boundary conditions to describe systems that do not exhibit full three-dimensional periodicity. The difference between the periodic potential, as straightforwardly obtained…
A counterintuitive effect of a repulsion between uncharged and charged conductors is considered. Our numerical calculations prove this effect for various axially symmetric systems of a neutral conductor in an electric field of a point…
Based on an analysis of the short range chemical environment of each atom in a system, standard machine learning based approaches to the construction of interatomic potentials aim at determining directly the central quantity which is the…
We present a new interatomic potential for water captured in a charge-transfer embedded atom method (EAM) framework. The potential accounts for explicit, dynamical charge transfer in atoms as a function of the local chemical environment. As…
We calculate the electrostatic potential of a periodic lattice of arbitrary extended charges by using the Cartesian multipole formalism. This method allows the separation of the long-range potential from the contact potential (potential on…
We introduce a method of exploring potential energy contours in complex dynamical systems based on potentiostatic kinematics wherein the systems are evolved with minimal changes to their potential energy. We construct a simple iterative…
Adopting the gauge-invariant but path-dependent variables formalism, we study the coupling of torsion fields with photons in the presence of an external background electromagnetic. We explicitly show that, in the case of a constant electric…
We report guiding and manipulation of charged particle beams by means of electrostatic optics based on a principle similar to the electrodynamic Paul trap. We use hundreds of electrodes fabricated on planar substrates and supplied with…
We present a method for incorporating image-charge effects into the description of charge transport through molecular devices. A simple model allows us to calculate the adjustment of the transport levels, due to the polarization of the…
Circuit models involving bulk currents and inductances are often used to estimate the energies of coronal magnetic field configurations, in particular configurations associated with solar flares. The accuracy of circuit models is tested by…
A methodology for calculating the contribution of charged defects to the configurational free energy of an ionic crystal is introduced. The temperature-independent Wang-Landau Monte Carlo technique is applied to a simple model of a solid…
We study the effect of any uneven voltage distribution on two close cylindrical conductors with parallel axes that are slightly shifted in the radial and by any length in the axial direction. The investigation is especially motivated by…
We evaluate the electrostatic potential and the electrostatic field created by a point charge and an arbitrarly oriented electrical dipole placed near a grounded perfectly conducting sphere. Induced surface charge distributions as well as…
A Hamiltonian based approach using spatially localized projection operators is introduced to give precise meaning to the chemically intuitive idea of the electronic energy on a quantum subsystem. This definition facilitates the study of…
Increasing the collection efficiency from solid-state emitters is an important step towards achieving robust single photon sources, as well as optically connecting different nodes of quantum hardware. A metallic substrate may be the most…
The electron and photon transport processes in spectroscopy techniques described by the invariant embedding theory is here revisited. We report a convergence method to obtain closed analytical solutions to the 3D integro-differential…
Estimating the free energy in molecular simulation requires, implicitly or explicitly, counting how many times the system is observed in a finite region. If the simulation is biased by an external potential, the weight of the configurations…
We derive the non-retarded energy shift of a neutral atom for two different geometries. For an atom close to a cylindrical wire we find an integral representation for the energy shift, give asymptotic expressions, and interpolate…
In this work, we consider the possibility of energy storage enhancement in electric capacitors using the compensational method. The essence of the proposed approach is the use of inductive voltage V_ind to partially compensate the…
We consider an interaction of charged bodies under the following simplified conditions: the distribution of charge over each body is stable; the interaction of bodies is governed by electrical forces only. Physically, these assumptions can…