{"id":"W2186475725","doi":"10.1139/cjp-2013-0670","title":"Theoretical calculation of the low-lying doublet electronic states of the SrF molecule","year":2014,"lang":"en","type":"article","venue":"Canadian Journal of Physics","topic":"Cold Atom Physics and Bose-Einstein Condensates","field":"Physics and Astronomy","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Physics; Multireference configuration interaction; Atomic physics; Dipole; Complete active space; Eigenvalues and eigenvectors; Ground state; Electronic structure; Potential energy; Perturbation theory (quantum mechanics); Configuration interaction; Quantum mechanics; Molecule; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001890399,0.0001104693,0.0002067175,0.00002534711,0.0001217158,0.00002871256,0.0003700667,0.0000238278,0.00007200815],"category_scores_gemma":[0.00001201,0.00006813363,0.0002623695,0.0002177574,0.0002356252,0.00007304365,0.00002850225,0.0002463254,0.000001082247],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004721736,"about_ca_system_score_gemma":0.000711438,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009745543,"about_ca_topic_score_gemma":0.0003246599,"domain_scores_codex":[0.9990901,0.00008134967,0.0003021495,0.00007972351,0.0001987086,0.000247999],"domain_scores_gemma":[0.9989446,0.00008020124,0.0003921053,0.0002541158,0.0002213186,0.0001075997],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.000005655274,0.00002872429,0.01308563,0.00001505181,0.00008441283,2.107719e-7,0.0004073342,0.002085054,0.009088762,0.9685884,0.0001457464,0.006465046],"study_design_scores_gemma":[0.0008884798,0.0001236054,0.008669828,0.0002860131,0.0001720056,0.000002330244,0.0002719605,0.00812909,0.3578441,0.6218502,0.001509644,0.0002526872],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9960015,0.00004899623,0.001792303,0.000359894,0.0001668439,0.00009634938,0.00001981785,0.000001082673,0.001513247],"genre_scores_gemma":[0.9996119,8.577672e-7,0.00001553032,0.00006065957,0.0002711406,0.000001025466,0.000002331511,0.00001353797,0.00002306035],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3487554,"threshold_uncertainty_score":0.2778409,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003839928349346286,"score_gpt":0.1933888213274202,"score_spread":0.1895488929780739,"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."}}