Related papers: Lekner summations and Ewald summations for quasi-t…
We consider the development of Monte Carlo schemes for molecules with Coulomb interactions. We generalize the classic algorithms of Bird and Nanbu-Babovsky for rarefied gas dynamics to the Coulomb case thanks to the approximation introduced…
The evaluation of the interaction between objects arranged on a lattice requires the computation of lattice sums. A scenario frequently encountered are systems governed by the Helmholtz equation in the context of electromagnetic scattering…
New sharp Strichartz estimates for the Maxwell system in two dimensions with rough permittivity and non-trivial charges are proved. We use the FBI transform to carry out the analysis in phase space. For this purpose, the Maxwell equations…
In this work we present the computer algebra package HarmonicSums and its theoretical background for the manipulation of harmonic sums and some related quantities as for example Euler-Zagier sums and harmonic polylogarithms. Harmonic sums…
We analyze and compare the computational complexity of different simulation strategies for Monte Carlo in the setting of classically scaled population processes. This allows a range of widely used competing strategies to be judged…
The version 3.01 of ELMAG, a Monte Carlo program for the simulation of electromagnetic cascades initiated by high-energy photons and electrons interacting with extragalactic background light (EBL), is presented. Pair production and inverse…
In a recent letter [Phys. Rev. Lett. {\bf 100}, 164101 (2008)] and within the context of quantized chaotic billiards, random plane wave and semiclassical theoretical approaches were applied to an example of a relatively new class of…
In this paper we study a general theoretical framework which allows to approximate the real space Ewald sum by means of effective force shifted screened potentials, together with a self term. Using this strategy it is possible to generalize…
We prove an Euler-Maclaurin formula for double polygonal sums and, as a corollary, we obtain approximate quadrature formulas for integrals of smooth functions over polygons with integer vertices. Our Euler-Maclaurin formula is in the spirit…
The efficient simulation of the mean value of a non-linear functional of the solution to a linear stochastic partial differential equation (SPDE) with additive Gaussian noise is considered. A Galerkin finite element method is employed along…
We present a Poincar\'e covariant cascade algorithm based on the constrained Hamiltonian dynamics in an $8N$-dimensional phase space to simulate the Boltzmann-type two-body collision term. We compare this covariant cascade algorithm with…
We introduce a numerical algorithm to stochastically sample the dual fermion perturbation series around the dynamical mean field theory, generating all topologies of two-particle interaction vertices. We show results in the weak and strong…
Feynman's diagrammatic series is a common language for a formally exact theoretical description of systems of infinitely-many interacting quantum particles, as well as a foundation for precision computational techniques. Here we introduce a…
Renormalization group methods are used to study the low-energy behavior of the unscreened Coulomb interaction in a one-dimensional electron system. By applying a GW approximation, a strong wavefunction renormalization is found in the model,…
We utilize the domain integral equation formulation to simulate two-dimensional transverse electric scattering in a homogeneous medium and a summation of modulated Gaussian functions to approximate the dual Gabor window. Then we apply Ewald…
We have developed an efficient Monte Carlo algorithm, which accelerates slow Monte Carlo dynamics in quasi-one-dimensional Ising spin systems. The loop algorithm of the quantum Monte Carlo method is applied to the classical spin models with…
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…
Monte Carlo simulation using a combination of Wang Landau (WL) and Transition Matrix (TM) Monte Carlo algorithms to simulate two lattice spin models with continuous energy is described. One of the models, the one dimensional Lebwohl-Lasher…
Three-dimensional (3D) excitonic complexes influence the optoelectronic properties of bulk semiconductors. More generally, correlated few-particle molecules and ions, held together by pairwise Coulomb potentials, play a fundamental role in…
In this brief contribution to the Proceedings of the NATO-ASI on ``Electrostatic Effects in Soft Matter and Biophysics'', which took place in Les Houches from Oct. 1-13, 2000, we summarize in short aspects of the simulations methods to…