{"id":"W1482846220","doi":"10.1016/s0065-3276(08)00404-8","title":"Chapter 4 Reflections on Formal Density Functional Theory","year":2009,"lang":"en","type":"book-chapter","venue":"Advances in quantum chemistry","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":5,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Waterloo","funders":"","keywords":"Density functional theory; Computer science; Physics; Quantum mechanics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001577748,0.0007569451,0.0008796326,0.00101744,0.001487023,0.002816206,0.001727209,0.002212017,0.03275218],"category_scores_gemma":[0.003786243,0.0003736073,0.0006742136,0.00108493,0.00545678,0.006591595,0.001492633,0.006232395,0.005538378],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.003771984,"about_ca_system_score_gemma":0.001651203,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003363656,"about_ca_topic_score_gemma":0.003175539,"domain_scores_codex":[0.9990574,0.0003362941,0.00002579919,0.00007022209,0.0004535114,0.00005676047],"domain_scores_gemma":[0.9989398,0.0006613156,0.0000226,0.0001429646,0.0001995888,0.0000337575],"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":[0.000001288807,0.000004286492,0.000002509845,0.00001534819,0.000001233075,0.000002884577,0.0000212623,0.0001624947,0.00001844929,0.9798513,0.01714517,0.002773619],"study_design_scores_gemma":[0.000001956109,0.00000138791,0.000008356161,0.00003077408,7.993524e-7,0.00001213503,0.00001173504,0.0004330954,0.00004773743,0.9402817,0.05916724,0.00000304508],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.002382411,0.03835852,0.08624888,0.06983527,0.01273381,0.00002974171,0.0003159228,0.000318342,0.7897771],"genre_scores_gemma":[0.1291804,0.03798412,0.04541389,0.01922524,0.01241054,0.0002105332,0.0004137439,0.00123854,0.753923],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.03275218,"threshold_uncertainty_score":0.109567,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01805090968954823,"score_gpt":0.2770660914252614,"score_spread":0.2590151817357131,"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."}}