{"id":"W1987701709","doi":"10.1021/jp0218490","title":"Molecular Properties Obtained by Analysis of Electronic Spectra Containing Interference Dips. Comparisons of Analytical Equations and Exact Models Based on Coupled Potential Energy Surfaces","year":2003,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Photochemistry and Electron Transfer Studies","field":"Chemistry","cited_by":23,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"Division of Chemistry; National Science Foundation","keywords":"Excited state; Antiresonance; Wave packet; Wave function; Spectral line; Atomic physics; Coupling (piping); Absorption spectroscopy; Physics; Molecular physics; Chemistry; Condensed matter physics; Quantum mechanics; Materials science; Resonance (particle physics)","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":[0.0005553724,0.0003715669,0.0003049623,0.0007693791,0.0002062423,0.000419882,0.0004605003,0.0003581026,0.001764026],"category_scores_gemma":[0.00181449,0.0001614434,0.0004297268,0.0006405971,0.0003686009,0.0009053883,0.0002409675,0.0003993988,0.0003170826],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004200798,"about_ca_system_score_gemma":0.0001866284,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004731103,"about_ca_topic_score_gemma":0.0002744094,"domain_scores_codex":[0.9998003,0.00004273004,0.000006669489,0.0000206418,0.0001107287,0.00001902644],"domain_scores_gemma":[0.9996526,0.0001630604,0.00003938624,0.00005816347,0.00007927231,0.000007424497],"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":[0.0002592259,0.000185379,0.004574824,0.0007443142,0.0001507309,0.000344678,0.0002580828,0.5631598,0.1931245,0.1634038,0.001122984,0.07267173],"study_design_scores_gemma":[0.0000115074,0.00004779205,0.002107727,0.00000994415,0.00002062887,0.00008859112,0.00003383287,0.9659272,0.01962889,0.01112215,0.0009846011,0.00001714792],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.4051635,0.0007993458,0.5745568,0.0001507562,0.00004273026,0.000109222,0.0004742557,0.001180174,0.01752324],"genre_scores_gemma":[0.9494036,0.0004006327,0.04799208,0.0000254505,0.000008217227,0.0000803437,0.0002976847,0.00009314416,0.001698746],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.001764026,"threshold_uncertainty_score":0.005901277,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01491738712896419,"score_gpt":0.2360559839245803,"score_spread":0.2211385967956161,"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."}}