Related papers: Ewald method for polytropic potentials in arbitrar…
We introduce an accurate and efficient method for a class of nonlocal potential evaluations with free boundary condition, including the 3D/2D Coulomb, 2D Poisson and 3D dipolar potentials. Our method is based on a Gaussian-sum approximation…
Potentials play an important role in solving boundary value problems for elliptic equations. In the middle of the last century, a potential theory was constructed for a two-dimensional elliptic equation with one singular coefficient. In the…
For the system of semilinear elliptic equations \[ \Delta V_i = V_i \sum_{j \neq i} V_j^2, \qquad V_i > 0 \qquad \text{in $\mathbb{R}^N$} \] we devise a new method to construct entire solutions. The method extends the existence results…
A model describing N particles on a line interacting pairwise via an elliptic function potential in the presence of an external field is partially solved in the quantum case in a totally algebraic way. As an example, the ground state and…
Fast Ewald summation efficiently evaluates Coulomb interactions and is widely used in molecular dynamics simulations. It is based on a split into a short-range and a long-range part, where evaluation of the latter is accelerated using the…
To minimise systematic errors in Monte Carlo simulations of charged particles, long range electrostatic interactions have to be calculated accurately and efficiently. Standard approaches, such as Ewald summation or the naive application of…
An extension to the wave packet description of quantum plasmas is presented, where the wave packet can be elongated in arbitrary directions. A generalised Ewald summation is constructed for the wave packet models accounting for long-range…
An extension to the P3M algorithm for electrostatic interactions is presented, that allows to efficiently compute dipolar interactions in periodic boundary conditions. Theoretical estimates for the root-mean square error of the forces,…
Nonuniform ellipticity is a classical topic in the theory of partial differential equations. While several results in regularity theory have been adding up over decades, many basic issues, as for instance the validity of Schauder theory and…
Let $\Omega$ be an open, simply connected, and bounded region in $\mathbb{R}^{d}$, $d\geq2$, and assume its boundary $\partial\Omega$ is smooth. Consider solving an elliptic partial differential equation $Lu=f$ over $\Omega$ with zero…
We present an NPT extension of Ewald summation with prolates (ESP), a spectrally accurate and scalable particle-mesh method for molecular dynamics simulations of periodic, charged systems. Building on the recently introduced ESP framework,…
In this Ph.D. thesis quantum Monte Carlo methods are applied to investigate the properties of a number of ultracold quantum systems. In Chapter 1 we discuss the analytical approaches and approximations used in the subsequent Chapters; also…
In this paper we present a new family of identities for Euler sums and integrals of polylogarithms by using the methods of generating function and integral representations of series. Then we apply it to obtain the closed forms of all…
In this note, we address some issues concerning the accurate pressure calculation of Coulomb systems with periodic boundary conditions. First, we prove that the formulas for the excess part of the pressure with Ewald summation also reduce…
We construct a tridiagonal matrix representation for the three dimensions Dirac-Coulomb Hamiltonian that provides for a simple and straightforward relativistic extension of the complex scaling method. Besides the Coulomb interaction,…
In this paper, we obtain some formulas for double nonlinear Euler sums involving harmonic numbers and alternating harmonic numbers. By using these formulas, we give new closed form sums of several quadratic Euler series through Riemann zeta…
In the present paper, employing properties of the complete elliptic integrals of the first and second kind, we deduce closed-form formulae for the lattice sums and other new formulae. Applications to the effective properties of regular and…
We present a spectrally accurate method for the rapid evaluation of free-space Stokes potentials, i.e. sums involving a large number of free space Green's functions. We consider sums involving stokeslets, stresslets and rotlets that appear…
We present algorithms to evaluate two types of multiple sums, which appear in higher-order loop computations. We consider expansions of a generalized hypergeometric-type sums, $\sum_{n_1,...,n_N} [Gamma(a1.n+c1) Gamma(a2.n}+c2) ...…
Long-range electrostatic and polarization interactions play a central role in molecular and condensed-phase systems, yet remain fundamentally incompatible with locality-based machine-learning interatomic potentials. Although modern…