{"id":"W2016465471","doi":"10.1002/qua.560020732","title":"Two-electron theory of surface and impurity states","year":2009,"lang":"en","type":"article","venue":"International Journal of Quantum Chemistry","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"","keywords":"Electron; Surface states; Atomic physics; Impurity; Surface (topology); Spin (aerodynamics); Band gap; Chemistry; Condensed matter physics; Physics; Molecular physics; Quantum mechanics; Geometry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001116192,0.00009161869,0.0001715067,0.00001060965,0.00001800323,0.00001223924,0.0001891025,0.00001455427,0.00004121898],"category_scores_gemma":[0.00001773555,0.00008040352,0.00008063932,0.00002967503,0.00006928272,0.0001099038,0.00003592916,0.0001751182,4.70747e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002975287,"about_ca_system_score_gemma":0.00003450167,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004030645,"about_ca_topic_score_gemma":2.023173e-8,"domain_scores_codex":[0.9993069,0.000009398404,0.0002748376,0.00007918176,0.0002129172,0.0001167646],"domain_scores_gemma":[0.9991601,0.0001030894,0.000334574,0.00005926081,0.0002908913,0.00005209872],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001913518,0.0002341695,0.003800295,0.00001090875,0.0003191247,0.000005695013,0.0002102708,0.001088856,0.972022,0.01689326,0.0002300462,0.004994026],"study_design_scores_gemma":[0.0003758197,0.00002351334,0.0002617095,0.00002920019,0.0000116307,0.000006030865,0.0001700689,0.00005890702,0.5520009,0.4469285,0.00007809638,0.00005570364],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9938343,0.000327089,0.003192109,0.0002861218,0.00005408913,0.00001456998,0.00002010357,0.000003503553,0.002268145],"genre_scores_gemma":[0.9992504,0.00003164944,0.000358304,0.00002315595,0.0002741843,1.720008e-7,0.000006179879,0.000004993245,0.00005093382],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4300352,"threshold_uncertainty_score":0.327876,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007129363713617391,"score_gpt":0.2858614159072065,"score_spread":0.2787320521935891,"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."}}