{"id":"W1999527292","doi":"10.1063/1.1385364","title":"<i>Ab initio</i> multireference configuration interaction study of the electronic spectra of carbon chain anions C2n+1− (n=2–5)","year":2001,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of New Brunswick","funders":"","keywords":"Multireference configuration interaction; Excited state; Ab initio; Chemistry; Carbon chain; Atomic physics; Configuration interaction; Excitation; Ab initio quantum chemistry methods; Matrix isolation; Electronic structure; Spectral line; Density functional theory; Chain (unit); Molecular physics; Computational chemistry; Physics; Molecule; 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":[0.0004902133,0.0006823666,0.0006724871,0.0009808737,0.001372373,0.0004029667,0.001349283,0.0008205296,0.00541306],"category_scores_gemma":[0.0004937271,0.0002718802,0.0005793786,0.0009865711,0.0006013302,0.0003866204,0.0004825189,0.000784906,0.0004128709],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007190668,"about_ca_system_score_gemma":0.0004893438,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006041288,"about_ca_topic_score_gemma":0.00778959,"domain_scores_codex":[0.9998465,0.00004833493,0.000005265541,0.00001275071,0.0000523601,0.00003482105],"domain_scores_gemma":[0.9996969,0.0001042214,0.00004225766,0.0000542507,0.00007261194,0.00002985521],"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":[0.001113181,0.0003830246,0.007768763,0.001936476,0.0003827608,0.002487657,0.001023738,0.6896877,0.1475427,0.0969243,0.01042476,0.04032484],"study_design_scores_gemma":[0.0001074453,0.0003536206,0.007490351,0.0000736704,0.00005494642,0.0002671667,0.0001941654,0.9447306,0.0370642,0.007751164,0.001831868,0.00008071419],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9714343,0.0008000433,0.01270335,0.0003538066,0.00005759345,0.00005265773,0.0003934541,0.0005127935,0.01369196],"genre_scores_gemma":[0.9922528,0.0002044804,0.005978667,0.00006355421,0.00002393316,0.00006074514,0.0003098657,0.00006148604,0.001044572],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006041288,"threshold_uncertainty_score":0.01810849,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01720148525240509,"score_gpt":0.2688932052887437,"score_spread":0.2516917200363387,"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."}}