{"id":"W2070559933","doi":"10.1080/00268970701344534","title":"New potential energy surfaces for the and states of CH","year":2007,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"","keywords":"Ab initio; Excited state; Potential energy surface; Ab initio quantum chemistry methods; Atomic physics; Potential energy; Chemistry; Ground state; Line (geometry); Vibronic coupling; Coupling (piping); Spectral line; Molecular physics; Molecule; Physics; Materials science; Quantum mechanics","routes":{"ca_aff":true,"ca_fund":false,"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":[0.001297175,0.0006793497,0.0006831289,0.00168881,0.001217495,0.001776156,0.001593713,0.00137367,0.004592887],"category_scores_gemma":[0.002506107,0.0004647745,0.0009946143,0.0009941411,0.0009195476,0.001273665,0.001210772,0.001127113,0.0006770145],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001280123,"about_ca_system_score_gemma":0.001213884,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002204929,"about_ca_topic_score_gemma":0.002251563,"domain_scores_codex":[0.9995673,0.0001186707,0.00001208233,0.00001984082,0.0002351418,0.00004705124],"domain_scores_gemma":[0.9995326,0.0002410126,0.00002886003,0.0000651697,0.00009467624,0.00003770323],"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":[0.00004294553,0.00005414759,0.0005793474,0.0001037836,0.00003521301,0.0001307881,0.0001546173,0.6134569,0.002053504,0.3656236,0.001760042,0.0160051],"study_design_scores_gemma":[0.00003345719,0.00001470205,0.0002246187,0.00002223971,0.00000894576,0.00003501782,0.00006197743,0.9129203,0.0005955718,0.08202402,0.004027357,0.00003187278],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2935814,0.003267264,0.5924393,0.001783758,0.0004473329,0.0003369035,0.0005718228,0.001042599,0.1065296],"genre_scores_gemma":[0.8486145,0.001253674,0.13727,0.0002924378,0.000120496,0.0005919192,0.0006012589,0.0003866516,0.01086905],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.004592887,"threshold_uncertainty_score":0.01536477,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004712921066034421,"score_gpt":0.2314928687229799,"score_spread":0.2267799476569455,"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."}}