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A novel method to image charge is used to measure the diffusion coefficient of electrons in films of CdSe nanocrystals at room temperature. This method makes possible the study of charge transport in films exhibiting high resistances or…
For Hamiltonian systems, simulation algorithms that exactly conserve numerical energy or pseudo-energy have seen extensive investigation. Most available methods either require the iterative solution of nonlinear algebraic equations at each…
Ab initio methods for electronic structure of molecules have reached a satisfactory accuracy for calculation of static properties, but remain too expensive for quantum dynamical calculations. We propose an efficient semiclassical method for…
A curious behavior of electron correlation energy is explored. Namely, the correlation energy is the energy that tends to drive the system toward that of the uniform electron gas. As such, the energy assumes its maximum value when a…
Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and dynamical properties. Despite the numerous…
We present an original undergraduate level compilation for the physics of electromechanical systems with special attention to power flow. An approach based on energy considerations is presented that is specially suited to compute the…
When deriving a formula for the Hall conductivity of interacting electrons in Phys. Rev. B 86, 165133, we have relied on an unjustified implicit assumption that a certain gauge choice could be made. Only under this condition would the…
We report a new particle in cell (PIC) method based on the semi-implicit approach. The novelty of the new method is that unlike any of its semi-implicit predecessors at the same time retains the explicit computational cycle and conserves…
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…
It is shown how point charges and point dipoles with finite self-energies can be accomodated into classical electrodynamics. The key idea is the introduction of constitutive relations for the electromagnetic vacuum, which actually mirrors…
In this work, we present an explanation of the electric charge quantization based on a semi-classical model of electrostatic fields. We claim that in electrostatics, an electric charge must be equal to a rational multiple of the elementary…
The evolution of image halftoning, from its analog roots to contemporary digital methodologies, encapsulates a fascinating journey marked by technological advancements and creative innovations. Yet the theoretical understanding of…
We discuss a couple of simple quasistatic electromagnetic systems in which the density of electromagnetic linear momentum can be easily computed. The examples are also used to illustrate how the total electromagnetic linear momentum, which…
Using a new analytic quantum mechanical method based on Slater's Xalpha method, we show that a fairly accurate estimate of the total energy of a molecule can be obtained from the exact energies of its constituent atoms. The mean absolute…
Ultracold quasineutral plasmas generated in the laboratory are generically inhomogeneous and ex- hibit small charge imbalances. As will be demonstrated, via a hydrodynamic theory as well as microscopic simulations, the latter lead to…
We study physical situations when one or two "guest" arbitrarily-charged particles are immersed in the bulk of a classical electrolyte modelled by a Coulomb gas of positive/negative unit point-like charges, the whole system being in thermal…
Effective low-energy Hamiltonian of interacting electrons in conducting single-wall carbon nanotubes with arbitrary chirality is derived from the microscopic lattice model. The parameters of the Hamiltonian show very weak dependence on the…
Achieving large-scale kinetic modelling is a crucial task for the development and optimization of modern plasma devices. With the trend of decreasing pressure in applications such as plasma etching, kinetic simulations are necessary to…
The thermodynamic potential of an ideal nonrelativistic gas of two-dimensional electrons in crossed uniform magnetic and electric fields is constructed. For low temperatures and very weak electric fields, it is shown that the Hall…
In this paper, we mainly focus on the rigorous convergence analysis of two fully decoupled, unconditionally energy-stable methods for the diffuse interface two-phase magnetohydrodynamics (MHD) model. The two methods consist of the…