{"id":"W2045033231","doi":"10.1063/1.3684261","title":"A generalized gradient approximation for exchange derived from the model potential of van Leeuwen and Baerends","year":2012,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Virial theorem; Scaling; Rotational invariance; Invariant (physics); Functional derivative; Statistical physics; Density functional theory; Potential energy; Physics; Energy functional; Energy (signal processing); Quantum mechanics; Mathematics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001602985,0.0001013167,0.0002155096,0.000004913621,0.00006639398,0.000009202392,0.0001483275,0.0000209334,0.00001467808],"category_scores_gemma":[0.000008534773,0.00005346846,0.0001319667,0.00004107161,0.000103595,0.000101151,0.00005997684,0.0001297385,2.76374e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000120621,"about_ca_system_score_gemma":0.000009841512,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001842321,"about_ca_topic_score_gemma":8.28036e-8,"domain_scores_codex":[0.9993969,0.00002612407,0.0002261099,0.0000509205,0.000138918,0.0001610337],"domain_scores_gemma":[0.999354,0.0001532134,0.0002771323,0.000095565,0.00007027246,0.00004982266],"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":[0.000204742,0.0001495619,0.0002442173,0.00001183384,0.0002052207,1.713057e-8,0.001696097,0.0001173503,0.9880131,0.005719699,0.0007084519,0.002929689],"study_design_scores_gemma":[0.0009052353,0.00003199713,0.000147852,0.0000193449,0.0002869778,7.556179e-7,0.0002247961,0.0101683,0.8562896,0.131763,0.00007411444,0.00008801875],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9336047,0.0004355664,0.06536168,0.0003126966,0.00004927222,0.00008659511,0.00004174868,0.000002345011,0.0001054039],"genre_scores_gemma":[0.9970379,0.00002183982,0.001769238,0.00004789434,0.001090095,0.000005865633,0.00001195681,0.000008996773,0.000006206959],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1317235,"threshold_uncertainty_score":0.2180381,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02465674846763968,"score_gpt":0.2602601408620258,"score_spread":0.2356033923943861,"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."}}