{"id":"W1527772258","doi":"10.1063/1.1607313","title":"Potential energy, Λ doubling and Born–Oppenheimer breakdown functions for the B 1Πu “barrier” state of Li2","year":2003,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":62,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"","keywords":"Potential energy; Born–Oppenheimer approximation; Asymptote; Atomic physics; Physics; Quantum tunnelling; Diatomic molecule; Perturbation theory (quantum mechanics); Perturbation (astronomy); Chemistry; Rectangular potential barrier; Quantum mechanics; Mathematics; Mathematical analysis","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":[0.0003607288,0.0005249785,0.0003454516,0.001744162,0.0009352334,0.0007566942,0.0009129933,0.0007422394,0.003444017],"category_scores_gemma":[0.001099932,0.0002910555,0.0003528636,0.0008411022,0.0009443078,0.0006984809,0.0006092913,0.000669733,0.0004859415],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001195422,"about_ca_system_score_gemma":0.0005198254,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003615751,"about_ca_topic_score_gemma":0.00153765,"domain_scores_codex":[0.9998909,0.00002058254,0.000004857921,0.000008972434,0.00003867346,0.00003594588],"domain_scores_gemma":[0.999708,0.0001257394,0.00004547011,0.00003063776,0.0000484778,0.00004156273],"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":[0.0008495475,0.0001682116,0.007875939,0.0002662849,0.00006432919,0.001461589,0.0008355888,0.6135327,0.1066107,0.2415852,0.001982406,0.02476739],"study_design_scores_gemma":[0.00003876378,0.00007770206,0.003161771,0.0000171621,0.000007633085,0.0002853367,0.000221542,0.9509868,0.01919033,0.02515287,0.0008071408,0.00005288305],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9789472,0.0002879931,0.008025917,0.0002213471,0.00001029747,0.00001371272,0.0001155086,0.0001362482,0.01224178],"genre_scores_gemma":[0.9968597,0.0001313455,0.001310222,0.00001628129,0.000003157176,0.00001854218,0.0001253279,0.00003578424,0.001499653],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003615751,"threshold_uncertainty_score":0.0115214,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01018880470543967,"score_gpt":0.2390468806527077,"score_spread":0.228858075947268,"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."}}