相关论文: Infinite Boundary Terms and Pairwise Interactions:…

We present a comparison of methods for treating the electrostatic interactions of finite, isolated systems within periodic boundary conditions (PBCs), within Density Functional Theory (DFT), with particular emphasis on linear-scaling (LS)…

We consider the binding energy of a two-body system with a repulsive Coulomb interaction in a finite periodic volume. We define the finite-volume Coulomb potential as the usual Coulomb potential, except that the distance is defined as the…

Continuum solvation methods can provide an accurate and inexpensive embedding of quantum simulations in liquid or complex dielectric environments. Notwithstanding a long history and manifold applications to isolated systems in open boundary…

The energy functional, the governing partial differential equation(s) (PDE), and the boundary conditions need to be consistent with each other in a modeling system. In electrolyte solution study, people usually use a free energy form of an…

We use the functional integral technique of Edwards and Lenard to solve the statistical mechanics of a one dimensional Coulomb gas with boundary interactions leading to surface charging. The theory examined is a one dimensional model for a…

In this chapter we review the electrostatic properties of charged membranes in aqueous solutions, with or without added salt, employing simple physical models. The equilibrium ionic profiles close to the membrane are governed by the…

Using an example of a mixed discrete-continuum representation of charges under the periodic boundary condition, we show that the exact pairwise form of the Ewald sum, which is well-defined even if the system is non-neutral, provides a…

The spinless relativistic Coulomb problem is the bound-state problem for the spinless Salpeter equation (a standard approximation to the Bethe--Salpeter formalism as well as the most simple generalization of the nonrelativistic…

We provide a framework for analyzing the problem of interacting electrons in a ballistic quantum dot with chaotic boundary conditions within an energy $E_T$ (the Thouless energy) of the Fermi energy. Within this window we show that the…

Interparticle interactions in charge-stabilized colloidal suspensions, of arbitrary salt concentration, are described at the level of effective interactions in an equivalent one-component system. Integrating out from the partition function…

The description of a conducting medium in thermal equilibrium, such as an electrolyte solution or a plasma, involves nonlinear electrostatics, a subject rarely discussed in the standard electricity and magnetism textbooks. We consider in…

The formalism developed in Refs.~\cite{Guo:2023ecc,Guo:2024zal,Guo:2024pvt} that relates the integrated correlation functions for a trapped system to the infinite volume scattering phase shifts through a weighted integral is further…

We consider a pairwise interacting quantum 3-body system in 3-dimensional space with finite masses and the interaction term $V_{12} + \lambda(V_{13} + V_{23})$, where all pair potentials are assumed to be nonpositive. The pair interaction…

A method is given to obtain closed form formulas for the energy and forces for an aggregate of charges interacting via a logarithmic interaction under periodic boundary conditions. The work done here is a generalization of Glasser's results…

We investigate the internal structure of near-threshold $s$-wave eigenstates in a two-body system with Coulomb plus short-range interactions. Using a nonrelativistic effective field theory, we derive the expression for the compositeness in…

We study charged particles in three dimensions interacting via a short-range potential in addition to the Coulomb potential. When the Bohr radius and the scattering length are much larger than the potential range, low-energy physics of the…

For a wide class of noninteracting tight-binding models in one dimension we present an analytical solution for all scattering and edge states on a half-infinite system. Without assuming any symmetry constraints we consider models with…

The starting point is the problem of finding the interaction energy of two coinciding homogeneous cubic charge distributions. The brute force method of subdividing the cube into $N^3$ sub-cubes and doing the sums results in slow convergence…

By integrating the pressure equation at the surface of a self coupled curvilinear boundary, one may obtain asymptotic estimates of energy shifts, which is especially useful in lattice QCD studies of nonrelativistic bound states. Energy…

An extension of the relativistic density functional approach to the equation of state for strongly interacting matter is suggested which generalizes a recently developed modified excluded-volume mechanism to the case of temperature and…