{"id":"W2898823909","doi":"10.1063/1.5053128","title":"Broadband models and their consequences on line shape analysis in vibrational sum-frequency spectroscopy","year":2018,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":26,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Spectroscopy; Sum-frequency generation; Spectral line; Raman scattering; Raman spectroscopy; Homodyne detection; Amplitude; Molecular vibration; Optics; Line (geometry); Computational physics; Chemistry; Physics; Nonlinear optics; Mathematics; Quantum mechanics","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":[0.004256129,0.0009818156,0.0007099612,0.001327988,0.0007115019,0.001348511,0.002299476,0.002407251,0.001788706],"category_scores_gemma":[0.01780556,0.0006449927,0.0007823428,0.001073262,0.001590548,0.003943204,0.001289589,0.001838714,0.0006976979],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001067655,"about_ca_system_score_gemma":0.0006045803,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001581771,"about_ca_topic_score_gemma":0.001304952,"domain_scores_codex":[0.9987997,0.0005369709,0.00004045163,0.0002125072,0.0003227237,0.00008763957],"domain_scores_gemma":[0.9935611,0.004961532,0.0003730849,0.0006554895,0.0003028963,0.0001458827],"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":[0.0001411683,0.0001580543,0.001532589,0.0001240279,0.00005294347,0.0002612992,0.0003035803,0.6852088,0.0119767,0.2692043,0.001710248,0.02932621],"study_design_scores_gemma":[0.000006607573,0.00002061853,0.0001866818,0.00002011123,0.000006061773,0.00004522477,0.00002518821,0.921909,0.0009421926,0.07616059,0.0006551496,0.00002250727],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.0617423,0.0003591852,0.9316434,0.0009730806,0.0000601976,0.00005496553,0.0001799918,0.0005370508,0.004449916],"genre_scores_gemma":[0.6672677,0.001290061,0.3238669,0.0006490481,0.0001392223,0.0003810773,0.000581813,0.000569483,0.005254784],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.004256129,"threshold_uncertainty_score":0.02250886,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02617251764310729,"score_gpt":0.2845614755384231,"score_spread":0.2583889578953159,"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."}}