{"id":"W2589464841","doi":"10.1002/qua.25364","title":"The exact Fermi potential yielding the Hartree–Fock electron density from orbital‐free density functional theory","year":2017,"lang":"en","type":"article","venue":"International Journal of Quantum Chemistry","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":20,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Alexander von Humboldt-Stiftung","keywords":"Pauli exclusion principle; Orbital-free density functional theory; Hartree–Fock method; Formalism (music); Fermi gas; Thomas–Fermi model; Density functional theory; Physics; Quantum mechanics; Fermi Gamma-ray Space Telescope; Electron; Local-density approximation; Chemistry","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":[0.001493582,0.0004940995,0.0006785102,0.001479706,0.0008751007,0.001515972,0.001171206,0.001186916,0.005855038],"category_scores_gemma":[0.00229584,0.0002710442,0.0006398975,0.0009832282,0.001700081,0.001993245,0.001022322,0.000793396,0.001803407],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001021902,"about_ca_system_score_gemma":0.001557741,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003354368,"about_ca_topic_score_gemma":0.002840291,"domain_scores_codex":[0.99922,0.000196508,0.00004461089,0.00005319514,0.0003684574,0.0001171249],"domain_scores_gemma":[0.9996426,0.0001304205,0.00002601555,0.00008212857,0.00009740089,0.00002146413],"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":[0.000007284975,0.000009218789,0.00006548885,0.00007966288,0.000007564317,0.0001196845,0.00006916658,0.0123068,0.00119041,0.977549,0.001364749,0.007231086],"study_design_scores_gemma":[0.000009759476,0.00001000176,0.0002311081,0.00007792298,0.000007223387,0.0001698223,0.0000561724,0.1358751,0.001032359,0.8586076,0.003894483,0.0000284042],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.08151211,0.003048889,0.7314609,0.002118316,0.0007673685,0.0001434173,0.0008440266,0.0003581049,0.1797468],"genre_scores_gemma":[0.800613,0.002926091,0.1527138,0.0008723714,0.0003088297,0.0002619729,0.0007977932,0.0004236648,0.04108243],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.005855038,"threshold_uncertainty_score":0.01958698,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01185132470880965,"score_gpt":0.2607141450406738,"score_spread":0.2488628203318642,"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."}}