{"doi":"10.1063/1.464303","title":"Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon","abstract":"<jats:p>Correlation consistent and augmented correlation consistent basis sets have been determined for the second row atoms aluminum through argon. The methodology, originally developed for the first row atoms [T. H. Dunning, Jr., J. Chem. Phys. 90, (1989)] is first applied to sulfur. The exponents for the polarization functions (dfgh) are systematically optimized for a correlated wave function (HF+1+2). The (sp) correlation functions are taken from the appropriate HF primitive sets; it is shown that these functions differ little from the optimum functions. Basis sets of double zeta [4s3p1d], triple zeta [5s4p2d1f], and quadruple zeta [6s5p3d2f1g] quality are defined. Each of these sets is then augmented with diffuse functions to better describe electron affinities and other molecular properties: s and p functions were obtained by optimization for the anion HF energy, while an additional polarization function for each symmetry present in the standard set was optimized for the anion HF+1+2 energy. The results for sulfur are then used to assist in determining double zeta, triple zeta, and quadruple zeta basis sets for the remainder of the second row of the p block.</jats:p>","journal":"The Journal of Chemical Physics","year":1993,"id":1531,"datarank":20.198251018316554,"base_score":9.154298981092557,"endowment":9.154298981092557,"self_citation_contribution":1.3731448471638839,"citation_network_contribution":18.82510617115267,"self_endowment_contribution":1.3731448471638839,"citer_contribution":18.82510617115267,"corpus_percentile":95.8,"corpus_rank":880,"citation_count":9454,"citer_count":189,"citers_with_citation_signal":189,"citers_with_endowment":189,"datacite_reuse_total":0,"is_dataset":false,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"1993-01-15","authors":[{"id":17984,"name":"Thom H. Dunning","orcid":"0000-0002-3290-6507","position":1,"is_corresponding":false},{"id":17983,"name":"David E. Woon","orcid":"0000-0003-3831-5078","position":0,"is_corresponding":true}],"reference_count":33,"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":[]}