{"id":"W2040748905","doi":"10.1016/s1386-1425(00)00477-7","title":"The application of direct potential fitting to the X1∑+ ground electronic states of LiCl, TlCl, RbF and CsF","year":2001,"lang":"en","type":"article","venue":"Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":11,"is_retracted":false,"has_abstract":false,"ca_institutions":"Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada; Dalhousie University","keywords":"Diatomic molecule; Hamiltonian (control theory); Chemistry; Potential energy; Born–Oppenheimer approximation; Isotopomers; Function (biology); Molecule; Computational chemistry; Atomic physics; Physics; Mathematics","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0006411878,0.0005533414,0.0005169471,0.000519978,0.0006167096,0.0007074579,0.0009832015,0.0008219852,0.004182236],"category_scores_gemma":[0.002139687,0.0002763196,0.0003374955,0.0007922764,0.000222449,0.0005861457,0.0005665689,0.0006640764,0.0006226589],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007786223,"about_ca_system_score_gemma":0.0006151444,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004221232,"about_ca_topic_score_gemma":0.004394856,"domain_scores_codex":[0.9998362,0.00005130117,0.000007550257,0.00002028125,0.00006182268,0.00002285174],"domain_scores_gemma":[0.9996334,0.0001487737,0.0000243853,0.00006550218,0.0001076257,0.00002029821],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001300522,0.0003519535,0.004814223,0.0008329802,0.0001678796,0.0003784421,0.0008995263,0.6366768,0.08075473,0.04016893,0.008409962,0.225244],"study_design_scores_gemma":[0.00003437909,0.00006309681,0.0007677886,0.00002149838,0.00001277468,0.00004334546,0.0001025107,0.9739644,0.01870942,0.003927662,0.00233408,0.00001912527],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7052702,0.0009927187,0.2505002,0.0006933922,0.0001097108,0.0002076735,0.001125378,0.004083307,0.03701736],"genre_scores_gemma":[0.9589703,0.0002093729,0.03644609,0.00007320913,0.000008377134,0.0001063571,0.0004644949,0.0004227899,0.003298976],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004221232,"threshold_uncertainty_score":0.013991,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00269675241861009,"score_gpt":0.2282688407021834,"score_spread":0.2255720882835733,"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."}}