相关论文: On exact summations in long-range interactions

I propose a method to calculate logarithmic interaction in two dimensions and coulomb interaction in three dimensions under periodic boundary conditions. This paper considers the case of a rectangular cell in two dimensions and an…

A number of problems arise when long-range forces, such as those governed by Bessel functions, are used in particle-particle simulations. If a simple cut-off for the interaction is used, the system may find an equilibrium configuration at…

Two-body matrix elements of arbitrary local interactions are written as the sum of separable terms in a way that is well suited for the exchange and pairing channels present in mean-field calculations. The expansion relies on the…

The 1/r Coulomb potential is calculated for a two dimensional system with periodic boundary conditions. Using polynomial splines in real space and a summation in reciprocal space we obtain numerically optimized potentials which allow us…

Power series in which the summand satisfies a linear recurrence relation with polynomial coefficients are shown to be the solution of a linear differential or algebraic equation. Solving the associated differential or algebraic equation…

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…

The goal of this paper is to describe the various kinetic equations which arise from scaling limits of interacting particle systems. We provide a formalism which allows us to determine the kinetic equation for a given interaction potential…

Exact analytic expression is derived for the matrix elements of the Coulomb interaction in two dimensions in the form of a closed finite sum expression. The orthonormal complete set of eigenfunctions of the harmonic oscillator is used as…

We address the efficient computation of power-law-based interaction potentials of homogeneous $d$-dimensional bodies with an infinite $n$-dimensional array of copies, including their higher-order derivatives. This problem forms a serious…

We present results illustrating the effects of using explicit summation terms for the $r^{-6}$ dispersion term on the interfacial properties of a Lennard-Jones fluid and SPC/E water. For the Lennard-Jones fluid, we find that the use of…

In this paper we will give a proof of a certain summation formula for Gamma functions utilizing Gegenbauer polynomials.

An exact solution is given for a two-dimensional model of a Coulomb gas, more general than the previously solved ones. The system is made of a uniformly charged background, positive particles, and negative particles, on the surface of a…

We present a technique to efficiently compute long-range interactions in systems with periodic boundary conditions. We extend the well-known Ewald method by using a linear combination of screening Gaussian charge distributions instead of…

A field-theoretic approach is applied to describe behavior of homogeneous three-dimensional systems with long-range interactions defined by two order parameters at bicritical and tetracritical points. Renormalization- group equations are…

We derive analytic solutions for the potential and field in a one-dimensional system of masses or charges with periodic boundary conditions, in other words Ewald sums for one dimension. We also provide a set of tools for exploring the…

We study the atomistic-to-continuum limit of a class of energy functionals for crystalline materials via Gamma-convergence. We consider energy densities that may depend on interactions between all points of the lattice and we give…

This paper is an enhanced version of a more than decade-older paper with a similar title. Many formulae involving both finite and infinite sums of digamma and polygamma functions up to quadratic order, few of which appear in standard…

Large molecular dynamics simulations (millions of atoms, tens of microseconds, thousands of processors) hit the strong scalability wall: simulation on twice as many processors does not take half the time. Inspired by large N-body space…

A method for taking into account the long-range potential of atoms in the framework of the hard-sphere model is proposed. It is shown that thermodynamic quantities can be represented as a sum of three contribution: that of an ideal gas, the…

We consider classical N-particle system with arbitrary central pair potential. Mechanical equilibrium condition in spherically-symmetric case leads to a nonlinear integro-differential equation for concentration n(r). For special state…