{"paper":{"title":"\"The numerical accuracy of truncated Ewald sums for periodic systems with long-range Coulomb interactions\"","license":"","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"chem-ph","authors_text":"Gerhard Hummer (Los Alamos National Laboratory, Los Alamos, NM 87545)","submitted_at":"1995-02-10T23:25:43Z","abstract_excerpt":"Ewald summation is widely used to calculate electrostatic interactions in computer simulations of condensed-matter systems. We present an analysis of the errors arising from truncating the infinite real- and Fourier-space lattice sums in the Ewald formulation. We derive an optimal choice for the Fourier-space cutoff given a screening parameter $\\eta$. We find that the number of vectors in Fourier space required to achieve a given accuracy scales with $\\eta^3$. The proposed method can be used to determine computationally efficient parameters for Ewald sums, to assess the quality of Ewald-sum im"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"chem-ph/9502004","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}