Related papers: A novel formulation of nonlocal electrostatics
We analyse a nonadiabatic self-consistent field method by means of an exactly-solvable model. The method is based on nuclear and electronic orbitals that are functions of the cartesian coordinates in the laboratory-fixed frame. The kinetic…
In this paper we have derived explicitly computable bounds on the error in energy norms for the fully nonlinear Poisson-Boltzmann equation. Together with the computable bounds, we have also obtained efficient error indicators which can…
In situ electron microscopy is a key tool for understanding the mechanisms driving novel phenomena in 2D structures. Unfortunately, due to various practical challenges, technologically relevant 2D heterostructures prove challenging to…
We provide the first proof of local well-posedness for the two-dimensional gravity water wave equations with spatially quasi-periodic initial conditions. We represent the solution using holomorphic coordinates, which are equivalent to a…
In this paper we present a novel fast method to solve Poisson equation in an arbitrary two dimensional region with Neumann boundary condition. The basic idea is to solve the original Poisson problem by a two-step procedure: the first one…
We present an accurate equation of state for water based on a simple microscopic Hamiltonian, with only four parameters that are well-constrained by bulk experimental data. With one additional parameter for the range of interaction, this…
In this paper we present a model based on dynamics of the electrons in the plasma using a simplified Boltzmann equation coupled with a Poisson equation. The motivation arose to simulate active plasma resonance spectroscopy which is used for…
Recent measurements of microsphere interactions in diverse media suggest that the standard dielectric-continuum models of solution-phase interactions are fundamentally incomplete. Experiments indicate that the interactions of charged…
The remarkably low experimental values of the capacitance data of carbon based materials in contact with water solvent needs to be explained from a microscopic theory in order to optimize the efficiency of these materials. We show that this…
We show that the fermion, in the context of a system that comprises many such entities - which, by virtue of the Pauli exclusion principle, possesses a Fermi surface at zero temperature - may itself be thought of as a collection of…
Boltzmann-Gibbs random fields are defined in terms of the exponential expression exp(-H), where H is a suitably defined energy functional of the field states x(s). This paper presents a new Boltzmann-Gibbs model which features local…
We present two methods for solving the electrostatics of point charges and multipoles on the surface of a sphere, \textit{i.e.} in the space $\mathcal{S}_{2}$, with applications to numerical simulations of two-dimensional polar fluids. In…
We suggest an alternative mathematical model for the electron in dimension 1+2. We think of our (1+2)-dimensional spacetime as an elastic continuum whose material points can experience no displacements, only rotations. This framework is a…
In this paper we present a novel approach to the geometric formulation of solid and fluid mechanics within the port-Hamiltonian framework, which extends the standard Hamiltonian formulation to non-conservative and open dynamical systems.…
We developed a deep generative model-based variational free energy approach to the equations of state of dense hydrogen. We employ a normalizing flow network to model the proton Boltzmann distribution and a fermionic neural network to model…
The behavior of a non-conductive quasi-planar lipid membrane in an electrolyte and in a static (DC) electric field is investigated theoretically in the nonlinear (Poisson-Boltzmann) regime. Electrostatic effects due to charges in the…
Electrostatic interactions make a large contribution to solvation free energy in ionic fluids such as electrolytes and colloidal dispersions. The electrostatic contribution to solvation free energy has been ascribed to the self-energy of a…
We use a nonlinear Schroedinger-Poisson equation to describe two interacting electrons with opposite spins confined in a parabolic potential, a quantum dot. We propose an effective form of the Poisson equation taking into account the…
The ultraconfined light of plasmonic modes put their effective wavelength close to the mean free path of electrons inside the metal electron gas. The Drude model, which can not take the repulsive interactions of electrons into account, then…
Under low-collisionality conditions the isotropic part of the electron velocity distribution function in a plasma becomes non-local and the electrons can be described by a single global distribution function . This is also the regime…