{"id":"W2736770123","doi":"10.1063/1.4985925","title":"Geometric phase effects in excited state dynamics through a conical intersection in large molecules: N-dimensional linear vibronic coupling model study","year":2017,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"The Scarborough Hospital; University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada; Alfred P. Sloan Foundation","keywords":"Conical intersection; Conical surface; Excited state; Vibronic coupling; Coupling (piping); Geometric phase; Physics; Intersection (aeronautics); Dynamics (music); Molecule; Molecular physics; Atomic physics; Quantum mechanics; Geometry; Materials science; Mathematics; Cartography; Geography","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":[0.0005159402,0.0004452057,0.0008496321,0.000614277,0.0008946191,0.000900182,0.001573909,0.0009711175,0.002661153],"category_scores_gemma":[0.0009385071,0.00032312,0.0007308049,0.0006032792,0.002031697,0.001355528,0.001227657,0.001013015,0.0001699918],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008124885,"about_ca_system_score_gemma":0.0008552293,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002541882,"about_ca_topic_score_gemma":0.001297889,"domain_scores_codex":[0.9997922,0.00005577942,0.000006890582,0.00003162964,0.00005798616,0.00005552737],"domain_scores_gemma":[0.9994809,0.0001894815,0.00008944126,0.00007715452,0.00005521626,0.0001078767],"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":[0.00012651,0.0002178853,0.001774575,0.0001170661,0.00005269194,0.0004965345,0.0004401206,0.5132611,0.02142131,0.4582016,0.0004864388,0.003404237],"study_design_scores_gemma":[0.00002353777,0.00004994379,0.0003091975,0.000005422188,0.000008665631,0.00003605216,0.00006131053,0.971385,0.0009473072,0.02700174,0.0001522492,0.00001964175],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.9224875,0.00036424,0.06155826,0.0004224563,0.00004116869,0.0000627044,0.00006142008,0.0001006605,0.01490174],"genre_scores_gemma":[0.9959001,0.0001282268,0.002784434,0.00004655832,0.00001157908,0.00003832176,0.00002306,0.00001861636,0.001049044],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.002661153,"threshold_uncertainty_score":0.008902371,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01770191164076201,"score_gpt":0.3243662490439198,"score_spread":0.3066643374031578,"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."}}