{"id":"W1984455005","doi":"10.1063/1.4826259","title":"Apparent violation of the sum rule for exchange-correlation charges by generalized gradient approximations","year":2013,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Charge (physics); Charge density; Physics; Distribution (mathematics); Gravitational singularity; Sum rule in quantum mechanics; Point particle; Charge exchange; Quantum mechanics; Electric potential; Statistical physics; Point (geometry); Electric charge; Mathematics; Mathematical analysis; Ion; Voltage; Geometry","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":[0.006187032,0.0007534598,0.001291524,0.001032067,0.0009771921,0.001590676,0.003450482,0.001303686,0.001274062],"category_scores_gemma":[0.01332655,0.0004623845,0.001140066,0.000604635,0.003141581,0.002970009,0.001596394,0.002742774,0.0005389991],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001382926,"about_ca_system_score_gemma":0.001611911,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004092488,"about_ca_topic_score_gemma":0.003840609,"domain_scores_codex":[0.9970307,0.001247123,0.0001430457,0.0001831932,0.001189185,0.0002067253],"domain_scores_gemma":[0.9956045,0.001923137,0.0002444451,0.001661424,0.0004196997,0.0001467781],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00003827825,0.00001743657,0.0003861736,0.0000633516,0.00001856541,0.0002351155,0.0001402658,0.03529301,0.002704588,0.9552363,0.001271124,0.0045958],"study_design_scores_gemma":[0.00002145657,0.00001449562,0.0001634501,0.00002274344,0.000005355071,0.000122774,0.00002202699,0.4096128,0.001077054,0.5882033,0.0007153693,0.00001912882],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2354287,0.001229156,0.7117341,0.006604811,0.0004848873,0.0001482949,0.000337385,0.001431804,0.04260091],"genre_scores_gemma":[0.8170866,0.0008784415,0.1722379,0.001149042,0.0001808683,0.000278509,0.0002207847,0.0007214866,0.007246217],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.006187032,"threshold_uncertainty_score":0.03272057,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01354209100618126,"score_gpt":0.2420862599822182,"score_spread":0.2285441689760369,"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."}}