{"id":"W2012503930","doi":"10.1139/v01-009","title":"Gaussian basis sets for the atoms from K through Xe","year":2001,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Atomic and Molecular Physics","field":"Physics and Astronomy","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Gaussian; Basis (linear algebra); STO-nG basis sets; Ground state; Atomic physics; Generator (circuit theory); Discretization; Hartree–Fock method; Basis set; Computational chemistry; Quantum mechanics; Mathematical analysis; Physics; Mathematics; Geometry; Complete active space; Density functional theory","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00004945008,0.00009579777,0.0001292856,0.000006437117,0.000134434,0.00004265146,0.0002483105,0.00004834319,0.0006623624],"category_scores_gemma":[0.00000651837,0.00007309046,0.0001722049,0.00005269605,0.00005755042,0.00006428725,0.00000651384,0.0002122896,0.000005227813],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004300369,"about_ca_system_score_gemma":0.0006797909,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00263641,"about_ca_topic_score_gemma":0.0001673795,"domain_scores_codex":[0.9994691,0.000006099203,0.0001653601,0.00007976218,0.00007110657,0.0002085617],"domain_scores_gemma":[0.9993477,0.00004656898,0.0001378306,0.0001633496,0.00006983355,0.0002346873],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0002299476,0.0002310593,0.1582516,0.00009765497,0.004725475,0.0004998578,0.009345799,0.0007505916,0.04869148,0.01451428,0.4038529,0.3588094],"study_design_scores_gemma":[0.001492967,0.00002095105,0.001487342,0.0000957137,0.0002241631,0.00004503461,0.00296688,0.0002628275,0.1298883,0.0503276,0.8127922,0.0003960449],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9109792,0.0008696673,0.05443682,0.002955587,0.0003151589,0.0001140272,0.0002530211,0.000004244598,0.03007228],"genre_scores_gemma":[0.9979547,0.000004590648,0.0003183692,0.0002604729,0.0008889619,0.000003095877,0.00002100543,0.00001526193,0.0005335889],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4089393,"threshold_uncertainty_score":0.7252405,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01091528264026259,"score_gpt":0.2308833724100013,"score_spread":0.2199680897697387,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}