{"id":"W3107636755","doi":"10.3390/atoms8040085","title":"Numerical Procedures for Relativistic Atomic Structure Calculations","year":2020,"lang":"en","type":"article","venue":"Atoms","topic":"Atomic and Molecular Physics","field":"Physics and Astronomy","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba; University of British Columbia","funders":"","keywords":"GRASP; Atomic orbital; Physics; Code (set theory); Grid; Numerical integration; Numerical analysis; Dirac (video compression format); Computational physics; Computer science; Quantum mechanics; Mathematical analysis; Geometry; Mathematics; Electron","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":[0.000009791721,0.0001040848,0.000124768,0.000007197661,0.00009143247,0.00001761463,0.0000840724,0.00002584849,0.00009033933],"category_scores_gemma":[0.00001249381,0.00009498567,0.00008897702,0.00009454676,0.00002428538,0.00004596103,0.00001930998,0.00008886764,0.00003445635],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000009154481,"about_ca_system_score_gemma":0.00008961128,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000008698511,"about_ca_topic_score_gemma":1.961085e-7,"domain_scores_codex":[0.9994763,0.00001011491,0.0001116818,0.0001851955,0.00006694355,0.0001497987],"domain_scores_gemma":[0.9997033,0.00003097791,0.00004977036,0.00009498314,0.00002991806,0.00009098698],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00003929078,0.00005215324,0.02045462,0.00005033411,0.0002071454,0.000001267949,0.001213633,0.001096539,0.00229394,0.9574786,0.00970331,0.007409141],"study_design_scores_gemma":[0.003886169,0.0002235201,0.01284051,0.00005467347,0.0004254361,0.000003702107,0.0006291483,0.2565013,0.0227326,0.6224671,0.07868758,0.001548199],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2771546,0.00002264302,0.7194884,0.0007115423,0.00005635247,0.0003459711,0.00009406819,0.00005446204,0.002071925],"genre_scores_gemma":[0.9975113,9.166538e-8,0.001510522,0.000343468,0.0003419471,0.00002293044,0.0001139016,0.00002238696,0.0001334068],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.7203568,"threshold_uncertainty_score":0.3873403,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01088768543587701,"score_gpt":0.2505184088028156,"score_spread":0.2396307233669386,"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."}}