{"id":"W2139205918","doi":"10.1002/qua.560060617","title":"Geminal Localization in the Separated-Pair Model II. Excited States of the Φ-Electronic Model of Benzene","year":2009,"lang":"en","type":"article","venue":"International Journal of Quantum Chemistry","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"","keywords":"Excited state; Geminal; Hamiltonian (control theory); Coupling constant; Chemistry; Excitation; Configuration interaction; Electronic correlation; Uncorrelated; Benzene; Atomic physics; Wave function; Quantum mechanics; Physics; Molecular physics; Electron; Mathematics; Stereochemistry","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":[0.0007104033,0.0004928319,0.000871751,0.0006575963,0.0009501233,0.001100307,0.001189924,0.0009769347,0.001805762],"category_scores_gemma":[0.000794362,0.0002832556,0.0006317231,0.0007790479,0.001322727,0.001245272,0.0008779676,0.0006076174,0.0002332219],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000941717,"about_ca_system_score_gemma":0.0006642652,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003390254,"about_ca_topic_score_gemma":0.002470688,"domain_scores_codex":[0.9997262,0.0001168515,0.000008148511,0.00002302303,0.00005635178,0.00006937968],"domain_scores_gemma":[0.9997303,0.00009769784,0.00004395426,0.00004391731,0.00003401079,0.00005017628],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0002181524,0.00008769171,0.0009111563,0.0001393874,0.00003970582,0.00045897,0.0002380879,0.4519788,0.01059539,0.5313074,0.0005710468,0.003454147],"study_design_scores_gemma":[0.00004013123,0.00007520767,0.0004207319,0.00001371516,0.00001059185,0.0000640627,0.00008240843,0.9447581,0.001212021,0.05302599,0.0002755556,0.00002154407],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8828828,0.001004976,0.09700105,0.0005387051,0.00005322795,0.0000485494,0.00009763769,0.000155284,0.01821771],"genre_scores_gemma":[0.9944918,0.0002286804,0.002849859,0.00004828095,0.00001503799,0.00003303322,0.00003356052,0.00002263761,0.002277096],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003390254,"threshold_uncertainty_score":0.006832719,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01009617925685501,"score_gpt":0.2753069658782454,"score_spread":0.2652107866213904,"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."}}