{"doi":"10.1063/1.458517","title":"A simple measure of electron localization in atomic and molecular systems","abstract":"<jats:p>We introduce in this work a new approach to the identification of localized electronic groups in atomic and molecular systems. Our approach is based on local behavior of the Hartree–Fock parallel-spin pair probability and is completely independent of unitary orbital transformations. We derive a simple ‘‘electron localization function’’ (ELF) which easily reveals atomic shell structure and core, binding, and lone electron pairs in simple molecular systems as well.</jats:p>","journal":"The Journal of Chemical Physics","year":1990,"id":8041,"datarank":19.206180053677993,"base_score":8.83884181343129,"endowment":8.83884181343129,"self_citation_contribution":1.3258262720146938,"citation_network_contribution":17.8803537816633,"self_endowment_contribution":1.3258262720146938,"citer_contribution":17.8803537816633,"corpus_percentile":92.5,"corpus_rank":1613,"citation_count":6896,"citer_count":197,"citers_with_citation_signal":197,"citers_with_endowment":197,"datacite_reuse_total":0,"is_dataset":false,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"1990-05-01","authors":[{"id":71844,"name":"K. E. Edgecombe","orcid":null,"position":1,"is_corresponding":false},{"id":50003,"name":"Axel D. Becke","orcid":"0000-0002-6668-7728","position":2,"is_corresponding":false},{"id":71845,"name":"Kenneth E. Edgecombe","orcid":null,"position":3,"is_corresponding":false}],"reference_count":28,"raw_metadata":{"citation_network_status":"fetched"},"created_at":"2026-03-01T18:20:47.508186Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}