{"id":"W1517582879","doi":"10.1002/9781119951438.eibc0377","title":"<scp>Ab</scp> <scp>initio</scp> and Semiempirical Methods","year":2011,"lang":"en","type":"other","venue":"Encyclopedia of Inorganic and Bioinorganic Chemistry","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"","keywords":"Ab initio; Spurious relationship; Parameterized complexity; Computation; Ab initio quantum chemistry methods; Computational chemistry; Total energy; Chemistry; Computer science; Molecule; Statistical physics; Physics; Algorithm","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":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001353174,0.0009403721,0.001231367,0.00007465466,0.0001343132,0.00003211161,0.0004778849,0.0005717381,0.001051835],"category_scores_gemma":[0.0002688805,0.0008927343,0.0001997541,0.0003532238,0.000681808,0.00008886586,0.00078232,0.0008628555,0.00005975186],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004395197,"about_ca_system_score_gemma":0.0001617311,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00009860183,"about_ca_topic_score_gemma":0.000002198934,"domain_scores_codex":[0.9971959,0.00005454706,0.0006730969,0.001057594,0.0003016494,0.0007172154],"domain_scores_gemma":[0.9973302,0.0007789319,0.0007321255,0.000675926,0.0001008915,0.000381904],"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":[0.00000413932,0.0005886912,0.01267511,0.001544917,0.001409022,0.0000116809,0.001739336,1.230018e-7,0.1868944,0.0005009128,0.7890673,0.005564422],"study_design_scores_gemma":[0.001221475,0.00006918229,0.0003419645,0.0003734704,0.0006473005,0.00002177754,0.00282602,0.00000180949,0.405008,0.01794018,0.5710699,0.0004789168],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"other","genre_gemma":"other","genre_scores_codex":[0.03217671,0.007128199,0.001090568,0.00001939499,0.0002211748,0.0003109491,0.0003513165,0.0002127238,0.9584889],"genre_scores_gemma":[0.05710071,0.01229219,0.02019612,0.0001842651,0.005403731,0.00009874086,0.0005832707,0.001755111,0.9023859],"genre_candidate":"other","genre_consensus":"other","teacher_disagreement_score":0.2181136,"threshold_uncertainty_score":0.9998614,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009743901558601664,"score_gpt":0.2552261051895865,"score_spread":0.2454822036309849,"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."}}