Related papers: Singular electrostatic energy of nanoparticle clus…
Electrolyte theories enable to describe the structural and dynamical properties of simple electrolytes in solution, such as sodium chloride in water. Using these theories for aqueous solutions of charged nanoparticles is a straightforward…
Physical properties of colloidal materials can be modified by addition of nanoparticles. Within a model of like-charged mixtures of particles governed by effective electrostatic interactions, we explore the influence of charged…
When electron correlations are important it is often necessary to use numerical methods to solve the Hamiltonian for a finite system (cluster) "exactly". Unfortunately, such methods are restricted to small systems. We propose to combine the…
We consider diatomic systems in which the kinetic energy of the electrons is treated in a simple relativistic model. The Born-Oppenheimer approximation is assumed. We investigate questions of stability, deducing bounds on the number $N$ of…
The vacuum polarization energy is the leading quantum correction to the classical energy of a soliton. We study this energy for two-component solitons in one space dimension as a function of the soliton's topological charge. We find that…
We demonstrate that the model of zero-range potentials can be successfully employed for the description of attached electrons in atomic and molecular anions, for example, negatively charged carbon clusters. To illustrate the capability of…
This theoretical and numerical study investigates the impact of electrostatic stresses on the shape of charged water structures (grains) in weakly ionized plasmas. We developed an analytic model to predict the conditions under which a grain…
Electrostatic energy (Madelung energy) is a major constituent of the cohesive energy of ionic crystals. Several physicochemical properties of these materials depend on the response of their electrostatic energy to a variety of applied…
We obtain the exact energy spectrum of nonuniform mass particles for a collection of Hamiltonians in a three-dimensional approach to a quantum dot. By considering a set of generalized Schr\"odinger equations with different orderings between…
We report on the structures of aluminum hydrides derived from a tetrahedral aluminum Al4 cluster using ab initio quantum chemical calculation. Our calculation of binding energies of the aluminum hydrides reveals that stability of these…
Without pretending to any rigour, we find a general expression of the electrostatic self-energy in static black holes with spherical symmetry. We determine the entropy bound of a charged object by assuming the existence of thermodynamics…
We present relativistic many-body calculations of total electron binding energy of neutral atoms up to element $Z=120$. Binding energy for ions may be found by subtracting known ionization potentials. Accuracy of the results for $17<Z…
By means of density functional theory (DFT) and the generalized gradient approximation (GGA) we present a structural, electronic and magnetic study of FePt, CoPt, FeAu and FePd based L1$_0$ ordered cuboctahedral nanoparticles, with total…
Magnetic properties of metals are investigated through electronic structure calculations based on the recently-proposed magnetic-field-containing relativistic tight-binding approximation (MFRTB) method [Phys. Rev. B \textbf{91}, 075122…
The distinguishable cluster approximation applied to coupled cluster doubles equations greatly improves absolute and relative energies. We apply the same approximation to the triples equations and demonstrate that it can also improve…
We present an accurate and efficient algorithm to calculate the electrostatic interaction of charged point particles with partially periodic boundary conditions that are confined along the nonperiodic direction by two metallic parallel…
We present a fast and accurate method to calculate the electrostatic energy and forces of interacting particles with the boundary conditions appropriate to surfaces, i.e periodic in the two directions parallel to the surface and free in the…
The system made by a charged particle interacting with a single electrostatic wave which propagates perpendicularly to the magnetic field, at a frequency larger than the cyclotron one, has been extensively studied in literature due to its…
We determine the expression of the electrostatic self-energy for a point charge in the static black holes with spherical symmetry having suitable properties
Effects of the single-electron tunneling and the Coulomb blockade in a cluster structure (the molecular transistor) are investigated theoretically. In the framework of the particle-in-a-box model for the spherical and disk-shaped gold…