{"paper":{"title":"A fractionally ionic approach to polarizability and van der Waals many-body dispersion calculations","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"J\\'anos G. \\'Angy\\'an, S\\'ebastien Leb\\`egue, Tim Gould, Tom\\'a\\v{s} Bu\\v{c}ko","submitted_at":"2017-03-26T08:43:05Z","abstract_excerpt":"By explicitly including fractionally ionic contributions to the polarizability of a many-component system we are able to significantly improve on previous atom-wise many-body van der Waals approaches with essentially no extra numerical cost. For non-ionic systems our method is comparable in accuracy to existing approaches. However, it offers substantial improvements in ionic solids, e.g. producing better polarizabilities by over 65% in some cases. It has particular benefits for two-dimensional transition metal dichalcogenides, and interactions of H$_2$ with modified coronenes - ionic systems o"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1703.08786","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"}