Related papers: Singular electrostatic energy of nanoparticle clus…
We estimate galaxy clustering under a modified gravitational potential. In particular, the modifications in gravitational potential energy occur due to a power-law and cosmological constant terms. We derive a canonical partition function…
In electrostatics, we can use either potential energy or field energy to ensure conservation of energy. In electrodynamics, the former option is unavailable. To ensure conservation of energy, we must attribute energy to the electromagnetic…
The problem concerning the form of the electrostatic field potential of the infinite charged metallic plane contacting with the metallic sphere is solved. The distributions of the surface charge densities both on the plane and the sphere…
The interaction of an electron with a local static charge distribution (e.g., an atom or molecule) is dominated at large distances by the radial 1/r Coulomb potential. The second order effect comes from the non-central electric dipole…
We report on the electrostatic complexation between polyelectrolyte-neutral copolymers and oppositely charged 6 nm-crystalline nanoparticles. For two different dispersions of oxide nanoparticles, the electrostatic complexation gives rise to…
Concentrated electric field and its energy in materials, containing nanofibers, are discussed. It is shown that the electric field in the vicinity of the end of a fiber is proportional to the external applied field and to the fiber length,…
We first develop a descriptor-based representation of atomic environments by devising two local similarity indices defined from an atom-partitioned quantum-chemical descriptor. Then, we employ this representation to explore the size-,…
The energies of a pair of strongly-interacting subsystems with arbitrary noninteger charges are examined from closed and open system perspectives. An ensemble representation of the charge dependence is derived, valid at all interaction…
In this thesis we study the lateral electrostatic interaction between a pair of non-identical, moderately charged colloidal particles trapped at an electrolyte interface in the limit of short inter-particle separations. Using a simplified…
We determine the electrostatic self-force at rest in an arbitrary static metric with cylindrical symmetry in the linear approximation in the Newtonian constant. In linearised Einstein theory, we express it in terms of the components of the…
The equilibrium binding energy is an important factor in the design of materials and devices. However, it presents great computational challenges for materials built up from nanostructures. Here we investigate the binding-energy scaling law…
Exact calculations of collective excitations and charge/spin (pseudo)gaps in an ensemble of bipartite and nonbipartite clusters yield level crossing degeneracies, spin-charge separation, condensation and recombination of electron charge and…
We use density functional theory to quantify finite size and shape effects for gold nanoclusters. We concentrate on the computation of binding energy as a function of bond length for icosahedral and cuboctohedral clusters. We find that the…
Recent calculations using coupled cluster on solids have raised discussion of using a $N^{-1/3}$ power law to fit the correlation energy when extrapolating to the thermodynamic limit, an approach which differs from the more commonly used…
We investigate the formation of polycrystalline structures in a class of particle systems. The atomistic energy is modeled as a sum of particle energies that favor atoms being locally isometric to a reference lattice. The discrete frame…
The electrostatic field energy due to two fixed pointlike charges shows some peculiar features concerning the distribution in space of the field energy density of the system. Here we discuss the evaluation of the field energy and the…
We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…
The electronic conductance of a molecule making contact to electrodes is determined by the coupling of discrete molecular states to the continuum electrode density of states. Interactions between bound states and continua can be modeled…
When a cluster or nanodroplet bears charge, its structure and thermodynamics are altered and, if the charge exceeds a certain limit, the system becomes unstable with respect to fragmentation. Some of the key results in this area were…
A logarithmic oscillator has the outstanding property that the expectation value of its kinetic energy is constant for all stationary states [1]. Recently the ansatz that this property can be used to define a Hamiltonian thermostat has been…