{"id":"W2077498685","doi":"10.1063/1.1319645","title":"<i>Ab initio</i> study of the role of vibronic coupling in the ultraviolet valence/Rydberg spectrum of formaldehyde: Handling of vibronic interaction between three electronic states","year":2000,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of New Brunswick","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Vibronic coupling; Vibronic spectroscopy; Diabatic; Rydberg formula; Ab initio; Hamiltonian (control theory); Chemistry; Atomic physics; Valence (chemistry); Potential energy; Adiabatic process; Ab initio quantum chemistry methods; Molecular physics; Physics; Quantum mechanics; Excited state; Molecule; Ionization","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":[0.0002680562,0.00027486,0.0003132387,0.00043672,0.0008154542,0.0004753658,0.0007884007,0.0005722108,0.001638837],"category_scores_gemma":[0.000447687,0.0001543969,0.0003194204,0.0003064391,0.000408726,0.0003615418,0.0002592428,0.0004049678,0.0002007008],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003128812,"about_ca_system_score_gemma":0.000425193,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00310867,"about_ca_topic_score_gemma":0.002593895,"domain_scores_codex":[0.9999353,0.00002130134,0.000002273261,0.000006143749,0.00002368614,0.00001132827],"domain_scores_gemma":[0.9998232,0.00008630923,0.00001866479,0.00002571291,0.00003244214,0.00001378057],"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":[0.0001775679,0.0003292974,0.006019245,0.0007597296,0.00009336937,0.0008445982,0.0004406805,0.7380064,0.0723016,0.1236461,0.002150068,0.05523138],"study_design_scores_gemma":[0.0000124894,0.00004024183,0.0009028161,0.00001157301,0.000007819527,0.0000765337,0.00004263806,0.9848834,0.007926729,0.005426731,0.0006586493,0.00001035682],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8373443,0.001239613,0.132506,0.0005074595,0.00008939668,0.00008793596,0.0001921007,0.0005661732,0.02746699],"genre_scores_gemma":[0.9640176,0.0004720186,0.03343635,0.00006436872,0.00004504934,0.0000536841,0.0001152961,0.00005852785,0.001737183],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00310867,"threshold_uncertainty_score":0.00618118,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00851458086441003,"score_gpt":0.2454553255430706,"score_spread":0.2369407446786606,"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."}}