title: A generalized Ewald decomposition for screened Coulomb interactions.
abstract: Medium-range interactions occur in a wide range of systems, including charged-particle systems with varying screening lengths. We generalize the Ewald method to charged systems described by interactions involving an arbitrary dielectric response function ϵ(𝐤). We provide an error estimate and optimize the generalization to find the break-even parameters that separate a neighbor list-only algorithm from the particle-particle particle-mesh algorithm. We examine the implications of different choices of the screening length for the computational cost of computing the dynamic structure factor. We then use our new method in molecular dynamics simulations to compute the dynamic structure factor for a model plasma system and examine the wave-dispersion properties of this system.
authors.affiliation: Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824, USA.
authors.forename: Gautham
authors.initials: G
authors.lastname: Dharuman
authors.affiliation: Center for Applied Scientific Computing, Lawrence Livermore National Laboratory, Livermore, California 94550, USA.
authors.forename: Liam G
authors.initials: LG
authors.lastname: Stanton
authors.affiliation: Condensed Matter and Materials Division, Lawrence Livermore National Laboratory, Livermore, California 94550, USA.
authors.forename: James N
authors.initials: JN
authors.lastname: Glosli
authors.affiliation: New Mexico Consortium, Los Alamos, New Mexico 87544, USA.
authors.forename: Michael S
authors.initials: MS
authors.lastname: Murillo