{"id":"W2976687630","doi":"10.1088/1361-648x/ab99ea","title":"LCAO-TDDFT- <i>k</i> - <b> <i>ω</i> </b> : spectroscopy in the optical limit","year":2020,"lang":"en","type":"article","venue":"Journal of Physics Condensed Matter","topic":"2D Materials and Applications","field":"Materials Science","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"Compute Canada","keywords":"Density functional theory; Exciton; Spectroscopy; Atomic orbital; Graphene; Absorption spectroscopy; Hybrid functional","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":[0.0007939602,0.0006957631,0.0007105247,0.0009646395,0.0007427025,0.001466561,0.002174101,0.001486877,0.02705102],"category_scores_gemma":[0.0016058,0.0003111772,0.0005294406,0.001081526,0.000816965,0.001083305,0.0008431427,0.001586794,0.003175352],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001145459,"about_ca_system_score_gemma":0.0012518,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004598833,"about_ca_topic_score_gemma":0.005296074,"domain_scores_codex":[0.999531,0.00008033279,0.00002092588,0.00003784844,0.0002481381,0.00008167468],"domain_scores_gemma":[0.9991822,0.0002948141,0.00005617746,0.0001625657,0.0002524951,0.0000516806],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.000551177,0.0007249723,0.004273844,0.001767575,0.0002152898,0.00151076,0.0008863042,0.3565643,0.1894035,0.2593273,0.0817661,0.103009],"study_design_scores_gemma":[0.00005817128,0.00003007256,0.001133929,0.00006020794,0.000007782437,0.0001847606,0.00008581481,0.9571765,0.01741972,0.01522512,0.008576372,0.00004158869],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2675552,0.0006115458,0.6115202,0.001414841,0.0003777916,0.000233302,0.008984389,0.01895835,0.09034437],"genre_scores_gemma":[0.673407,0.0004899623,0.3046255,0.0006392855,0.00005308571,0.0007484429,0.005679802,0.004868533,0.009488439],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.02705102,"threshold_uncertainty_score":0.09049469,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02280494844250631,"score_gpt":0.2519946185351254,"score_spread":0.2291896700926191,"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."}}