Related papers: Singular electrostatic energy of nanoparticle clus…
Inhomogeneous charge distributions have important repercussions on electrostatic interactions in systems of charged particles but are often difficult to examine theoretically. We investigate how electrostatic interactions are influenced by…
One-dimensional CL-20 chains have been constructed using CH$_2$ molecular bridges for the covalent bonding between isolated CL-20 fragments. The energy and electronic properties of the nanostructures obtained have been analyzed by means of…
The conducting and thermodynamic properties of ballistic metallic nanocontacts with smooth shapes are investigated. All properties are related to the electronic scattering matrix, which is evaluated in the WKB approximation for independent…
The charge of an electron in a cluster of n electrons is not ne but it is a fraction. We make many different clusters and calculate their charge per electron. We make 84 clusters and calculate the charge of an electron in these clusters.…
A specific absorption rate of a dilute assembly of various random clusters of iron oxide nanoparticles in alternating magnetic field has been calculated using Landau- Lifshitz stochastic equation. This approach simultaneously takes into…
A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…
Solid mercury in the rhombohedral structure is unbound within the self-consistent field (Hartree-Fock) approximation. The metallic binding is entirely due to electronic correlations. We determine the cohesive energy of solid mercury within…
A problem of self-energy and self-force for a charged point-like particle in a higher dimensional homogeneous gravitational field is considered. We study two cases, when a particle has usual electric charge and a case when it has a scalar…
It is shown theoretically that the confinement of an electron at a repulsive potential can exist in nanostructures subjected to a strong high-frequency electromagnetic field. As a result of the confinement, the metastable bound electron…
Compositional effects in NaK alloy clusters have been studied using bond order length strength notation and density functional theory calculations. The results reveal binding energy shifts of the NaK alloy clusters under different elemental…
The first-principle prediction of nanocluster stable structure is often hampered by the existence of many isomer configurations with energies close to the ground state. This fact attaches additional importance to many-electron effects going…
We study the force between two circular electrodes in different configurations. A formula analogous to Kelvin's formula for the spheres is given in the case of equal disks held at the same potential and when one plate is earthed. An…
Response of a single-walled carbon nanotube to external electric field, F, is calculated analytically within the classical electrostatics. Field-induced charge density distribution is approximately linear along the axis of metallic nanotube…
We study metastable clusters in a colloidal system with competing interactions. A short-ranged polymer-induced attraction drives clustering, while a weak, long-ranged electrostatic repulsion prevents extensive aggregation. We compare…
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground state energies in finite cells are…
We model the stabilization of clusters and lattices of cuboidal particles with long-ranged magnetic dipolar and short-ranged surface interactions. Two realistic systems were considered: one with magnetization orientated in the [001]…
Neutral alkali clusters efficiently capture low-energy electrons with the aid of long-range polarization attraction. Upon attachment, the electron affinity and kinetic energy are dissipated into vibrations, heating the cluster and…
A new method that accurately describes strongly correlated states and captures dynamical correlation is presented. It is derived as a modification of coupled-cluster theory with single and double excitations (CCSD) through consideration of…
We investigate theoretically the formation of collective excitations in atomic scale quasi-one dimensional metallic nanostructures. The response of the system is calculated within the linear response theory and random phase approximation.…
We consider two point-like charges in electrostatic interaction between them within the framework of a nonlinear model, associated with QED, that provides finiteness of their field energy. We find the common field of the two charges in a…