{"paper":{"title":"An Adaptive Multiscale Approach for Electronic Structure Methods","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph","physics.comp-ph"],"primary_cat":"math.NA","authors_text":"Jan Hamaekers, Michael Griebel, Sambasiva Rao Chinnamsetty","submitted_at":"2016-11-16T03:04:29Z","abstract_excerpt":"In this paper, we introduce a new scheme for the efficient numerical treatment of the electronic Schr\\\"odinger equation for molecules. It is based on the combination of a many-body expansion, which corresponds to the so-called bond order dissection Anova approach, with a hierarchy of basis sets of increasing order. Here, the energy is represented as a finite sum of contributions associated to subsets of nuclei and basis sets in a telescoping sum like fashion. Under the assumption of data locality of the electronic density (nearsightedness of electronic matter), the terms of this expansion deca"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1611.05129","kind":"arxiv","version":2},"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"}