{"id":"W2335285028","doi":"10.1021/jp406680r","title":"Accurate Analytic Potential and Born–Oppenheimer Breakdown Functions for MgH and MgD from a Direct-Potential-Fit Data Analysis","year":2013,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Atomic and Molecular Physics","field":"Physics and Astronomy","cited_by":39,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"","keywords":"Born–Oppenheimer approximation; Physics; Quantum mechanics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006129398,0.0005924439,0.0004624294,0.0009314203,0.0004074789,0.0004705758,0.0009391606,0.0003743782,0.001936901],"category_scores_gemma":[0.002193783,0.0002813076,0.0004631366,0.0009381718,0.0003222521,0.0008706669,0.0006685179,0.0007605209,0.000375621],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007804738,"about_ca_system_score_gemma":0.0004899087,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001380916,"about_ca_topic_score_gemma":0.00143316,"domain_scores_codex":[0.9997056,0.00005506364,0.0000163015,0.00004487165,0.0001463125,0.00003172702],"domain_scores_gemma":[0.9995877,0.0001403746,0.00003658852,0.0001009745,0.0001164679,0.00001789207],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0004898333,0.0002373475,0.01707822,0.0003896545,0.0001473081,0.0006786172,0.0005010593,0.6247815,0.1938118,0.02350549,0.001901582,0.1364776],"study_design_scores_gemma":[0.00002823937,0.00008049814,0.005641695,0.00001364627,0.00001672194,0.0001476086,0.0001109339,0.9207085,0.06538313,0.005811838,0.002012742,0.00004455168],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8272973,0.0002333758,0.1674882,0.0001039444,0.00001376727,0.00005803081,0.0009202724,0.0006686083,0.003216502],"genre_scores_gemma":[0.9573808,0.0001050946,0.04086266,0.00001911355,0.000003477661,0.00007532963,0.0007645059,0.0001432568,0.0006457893],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001936901,"threshold_uncertainty_score":0.006479621,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01373176981971992,"score_gpt":0.2564526676909923,"score_spread":0.2427208978712724,"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."}}