{"id":"W267193040","doi":"10.1063/1.4864355","title":"Direct-potential-fit analyses yield improved empirical potentials for the ground $X\\,^1\\Sigma _g^+$XΣg+1 state of Be2","year":2014,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":53,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"National Science Foundation","keywords":"Ab initio; Physics; Dimensionless quantity; Morse potential; Potential energy; Ground state; Polynomial; Atomic physics; Thermodynamics; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004249155,0.0003016261,0.0007253793,0.00002145618,0.0001712403,0.00003588917,0.0007178276,0.0000415161,0.0000140114],"category_scores_gemma":[0.0001249645,0.0001680876,0.0006612527,0.0002302004,0.0003943329,0.0001952288,0.0002030147,0.0004468049,0.000002370588],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003326895,"about_ca_system_score_gemma":0.00004825928,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003009413,"about_ca_topic_score_gemma":3.232553e-7,"domain_scores_codex":[0.9981412,0.00007508728,0.0007777348,0.0001881363,0.0004229054,0.0003949429],"domain_scores_gemma":[0.9957989,0.002132863,0.001025358,0.0004422776,0.0004927574,0.000107853],"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":[0.0002798203,0.0003063291,0.0000599158,0.00002796508,0.0009211412,1.859984e-7,0.0002925993,0.005130408,0.9787233,0.0004103321,0.002460882,0.01138708],"study_design_scores_gemma":[0.0006397667,0.0001081335,0.00004488383,0.00003510705,0.0006796054,0.000001280079,0.0001259081,0.001955933,0.8041025,0.1916523,0.0004584286,0.0001961543],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5741487,0.0004463396,0.4229212,0.0009185453,0.0002847565,0.000352149,0.00007665472,0.00001779851,0.0008339189],"genre_scores_gemma":[0.9971456,0.00002604438,0.0008307401,0.0001353687,0.001733043,0.0000105232,0.000005863295,0.00004056595,0.00007223494],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.422997,"threshold_uncertainty_score":0.6854415,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04804778476293755,"score_gpt":0.332181637522773,"score_spread":0.2841338527598354,"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."}}