{"id":"W2111710219","doi":"10.1139/p09-077","title":"Theoretical electronic investigation of the low-lying electronic states of the LuF molecule","year":2009,"lang":"en","type":"article","venue":"Canadian Journal of Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Physics; Singlet state; Atomic physics; Complete active space; Multireference configuration interaction; Electronic structure; Potential energy; Configuration interaction; Field (mathematics); Molecule; Quantum mechanics; Excited state; Molecular orbital","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006069411,0.0004662835,0.001021393,0.001791402,0.001529552,0.001001891,0.001406511,0.001136629,0.006761801],"category_scores_gemma":[0.001209587,0.0002315647,0.0005726726,0.0008438234,0.001347885,0.0007534235,0.0005942745,0.0006433011,0.0006002111],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001063578,"about_ca_system_score_gemma":0.0008170467,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002835928,"about_ca_topic_score_gemma":0.002641854,"domain_scores_codex":[0.9997852,0.00005087469,0.000004335349,0.00001503591,0.00006870537,0.00007590247],"domain_scores_gemma":[0.9996517,0.0001635572,0.00002949353,0.00005799062,0.00006897927,0.00002830542],"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":[0.0002273435,0.0001777037,0.003203428,0.0005798357,0.00005474631,0.00129702,0.00036527,0.6481031,0.01286733,0.3075121,0.002340542,0.02327154],"study_design_scores_gemma":[0.00002951144,0.00009476112,0.001269548,0.00005191689,0.00001389227,0.0001231881,0.0001363967,0.9739749,0.001841556,0.02102792,0.001416424,0.00002003568],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8594375,0.001526736,0.05790535,0.001002345,0.00007212975,0.00009744385,0.0005131834,0.0003422012,0.07910319],"genre_scores_gemma":[0.9852507,0.000496146,0.009636584,0.0001367317,0.00004094035,0.0001364281,0.0003652359,0.00005254509,0.003884636],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006761801,"threshold_uncertainty_score":0.02262044,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00356402223702801,"score_gpt":0.1995078822796381,"score_spread":0.1959438600426101,"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."}}