{"id":"W2071244000","doi":"10.1002/jcc.20030","title":"Even‐tempered slater‐type orbitals revisited: From hydrogen to krypton","year":2004,"lang":"en","type":"article","venue":"Journal of Computational Chemistry","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":260,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia; University of British Columbia Hospital","funders":"","keywords":"Atomic orbital; Basis set; Basis (linear algebra); Type (biology); Slater-type orbital; Set (abstract data type); Molecular orbital; STO-nG basis sets; Krypton; Computational chemistry; Computer science; Physics; Statistical physics; Atomic physics; Mathematics; Linear combination of atomic orbitals; Chemistry; Quantum mechanics; Molecule; Geometry; Argon","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00004460009,0.0001485216,0.0002755645,0.00001874172,0.00005907164,0.00002194686,0.0001859459,0.00002990491,0.0001552083],"category_scores_gemma":[0.00001987274,0.0001398248,0.0001353147,0.000145366,0.00002752884,0.0001266261,0.00006333364,0.0001998025,0.00003799515],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008608164,"about_ca_system_score_gemma":0.0001010135,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006016517,"about_ca_topic_score_gemma":2.655092e-8,"domain_scores_codex":[0.9989862,0.000006678777,0.0004019552,0.0001448518,0.0003117064,0.0001485618],"domain_scores_gemma":[0.9990311,0.00008782774,0.0002860211,0.0001003195,0.0003567556,0.0001379488],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00009857001,0.0002024997,0.001481146,0.00002330147,0.0004207198,0.00001433499,0.0002843041,0.5479665,0.4467936,0.000225871,0.001322964,0.001166107],"study_design_scores_gemma":[0.0006950602,0.00002949102,0.0002888756,0.0001166337,0.00003415515,0.000005953239,0.0000733936,0.0000100288,0.392939,0.604408,0.00122886,0.0001705533],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9907442,0.0001476435,0.006642869,0.0004007689,0.00005612711,0.00004343871,0.00004847012,0.000009893514,0.001906613],"genre_scores_gemma":[0.9898294,0.000001435846,0.008977554,0.0001120899,0.000934712,0.000001421552,0.00006337793,0.00001721925,0.0000628369],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.6041821,"threshold_uncertainty_score":0.5701889,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008351918759705222,"score_gpt":0.2607552299426126,"score_spread":0.2524033111829074,"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."}}