{"id":"W3004943038","doi":"10.1103/physreva.101.062510","title":"Natural orbitals in multiconfiguration calculations of hyperfine-structure parameters","year":2020,"lang":"en","type":"article","venue":"Physical review. A/Physical review, A","topic":"Atomic and Molecular Physics","field":"Physics and Astronomy","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Vetenskapsrådet; Natural Sciences and Engineering Research Council of Canada; Fonds Wetenschappelijk Onderzoek; Fonds pour la Formation à la Recherche dans l’Industrie et dans l’Agriculture; Fonds De La Recherche Scientifique - FNRS","keywords":"Hyperfine structure; Atomic physics; Atomic orbital; Natural bond orbital; Physics; Electron; Nuclear physics; Quantum mechanics; Molecule","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.00009427153,0.0004320079,0.00140983,0.00002560592,0.00005415792,0.00001798166,0.00036041,0.00003046948,0.00007256185],"category_scores_gemma":[0.0001848856,0.0003512748,0.0007345392,0.0007142142,0.0001279183,0.0001929612,0.0001074607,0.000579083,0.0001172328],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003579885,"about_ca_system_score_gemma":0.000100901,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005833741,"about_ca_topic_score_gemma":0.000001688682,"domain_scores_codex":[0.9976819,0.0002389992,0.0007055688,0.0005560782,0.0004370201,0.0003804352],"domain_scores_gemma":[0.9985339,0.0002191347,0.0003948748,0.000467372,0.0001536828,0.000231054],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00007316945,0.002015029,0.004084287,0.01308746,0.0005452933,0.00001641379,0.001076005,0.0005688237,0.6725299,0.1714001,0.006327449,0.128276],"study_design_scores_gemma":[0.006891307,0.001061703,0.0106713,0.04509664,0.005430005,0.000009395865,0.000317876,0.2018439,0.4995398,0.1688845,0.05361278,0.006640792],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9758401,0.01421711,0.003144848,0.003030431,0.00008031751,0.001852871,0.0001482128,0.00004676789,0.001639366],"genre_scores_gemma":[0.9947568,0.002102938,0.0003277748,0.002095293,0.0003349208,0.00009403148,0.0002343493,0.00004237329,0.00001155884],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2012751,"threshold_uncertainty_score":0.9998939,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01441058316653237,"score_gpt":0.337887688815676,"score_spread":0.3234771056491436,"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."}}