{"doi":"10.1103/physrevb.43.1993","title":"Efficient pseudopotentials for plane-wave calculations","abstract":"We present a simple procedure to generate first-principles norm-conserving pseudopotentials, which are designed to be smooth and therefore save computational resources when used with a plane-wave basis. We found that these pseudopotentials are extremely efficient for the cases where the plane-wave expansion has a slow convergence, in particular, for systems containing first-row elements, transition metals, and rare-earth elements. The wide applicability of the pseudopotentials are exemplified with plane-wave calculations for copper, zinc blende, diamond, \\ensuremath{\\alpha}-quartz, rutile, and cerium.","journal":"Physical Review B","year":1991,"id":861,"datarank":28.962694176740136,"base_score":9.684336022491456,"endowment":9.684336022491456,"self_citation_contribution":1.4526504033737186,"citation_network_contribution":27.510043773366416,"self_endowment_contribution":1.4526504033737186,"citer_contribution":27.510043773366416,"corpus_percentile":99.3,"corpus_rank":388,"citation_count":16063,"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":"1991-01-15","authors":[{"id":11206,"name":"José Luriaas Martins","orcid":null,"position":1,"is_corresponding":false},{"id":11207,"name":"José Luı́s Martins","orcid":"0000-0002-9061-967X","position":2,"is_corresponding":false},{"id":11205,"name":"N. Troullier","orcid":null,"position":0,"is_corresponding":true}],"reference_count":57,"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":[]}