{"id":"W3037623569","doi":"10.1016/j.jqsrt.2020.107188","title":"GSRB rotation and rovibration intensities for: The bent HOCl molecule, and for: Quantum monodromy in NCNCS","year":2020,"lang":"en","type":"article","venue":"Journal of Quantitative Spectroscopy and Radiative Transfer","topic":"Atmospheric Ozone and Climate","field":"Earth and Planetary Sciences","cited_by":2,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of New Brunswick","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Rotational–vibrational spectroscopy; Monodromy; Physics; Dipole; Ab initio; Atomic physics; Electric dipole moment; Bent molecular geometry; Potential energy; Hamiltonian (control theory); Quantum mechanics; Excited state; Chemistry","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":[0.0007525807,0.0005887639,0.0002403468,0.0009926051,0.0004447095,0.0005286385,0.0007753208,0.0004328614,0.01855028],"category_scores_gemma":[0.001406169,0.0001986799,0.000185602,0.0006917439,0.001213119,0.001306594,0.0006565484,0.0007524897,0.0008233932],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007839866,"about_ca_system_score_gemma":0.0003453943,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001252805,"about_ca_topic_score_gemma":0.001799128,"domain_scores_codex":[0.9996504,0.00005906892,0.00001151701,0.0001066747,0.00007315445,0.00009912145],"domain_scores_gemma":[0.9994497,0.000164447,0.0001288091,0.0001162981,0.00007014844,0.00007066519],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001781073,0.0002248283,0.01517316,0.0005643181,0.0001059471,0.0004010223,0.001613853,0.01126223,0.846374,0.07163732,0.004603235,0.04625897],"study_design_scores_gemma":[0.000107234,0.0004828347,0.06266882,0.0001155967,0.0001045689,0.0004205648,0.001003786,0.08862869,0.8222148,0.01188343,0.01215612,0.0002135591],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9682416,0.0003090063,0.01098336,0.0002416444,0.00004041149,0.00002489587,0.0006627534,0.0004529011,0.01904346],"genre_scores_gemma":[0.9936302,0.0001422766,0.003013529,0.00005272109,0.00001032512,0.000025815,0.000482677,0.0001377115,0.002504781],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01855028,"threshold_uncertainty_score":0.06205684,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03401175792153366,"score_gpt":0.2756883282718788,"score_spread":0.2416765703503451,"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."}}