{"doi":"10.1063/5.0064151","title":"Tight distance-dependent estimators for screening two-center and three-center short-range Coulomb integrals over Gaussian basis functions","abstract":". These estimators are much tighter than the ones based on the Schwarz inequality and can be viewed as a complement to the distance-dependent estimators for four-center short-range Coulomb integrals and for two-center and three-center full Coulomb integrals previously reported. Because the short-range Coulomb potential is commonly used in solid-state calculations, including those with the Heyd-Scuseria-Ernzerhof functional and with our recently introduced range-separated periodic Gaussian density fitting, we test our estimators on a diverse set of periodic systems using a wide range of the range-separation parameter ω. These tests demonstrate the robust tightness of our estimators, which are then used with integral screening to calculate periodic three-center short-range Coulomb integrals with linear scaling in system size.","journal":"The Journal of Chemical Physics","year":2021,"id":225817,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":0,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9508,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2021-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":430151,"name":"Timothy C. Berkelbach","orcid":"0000-0002-7445-2136","position":1,"is_corresponding":false},{"id":688767,"name":"Hong‐Zhou Ye","orcid":null,"position":0,"is_corresponding":true}],"reference_count":61,"raw_metadata":null,"created_at":"2026-07-18T23:54:30.292454Z","pmid":"34598553","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,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}