{"id":"W2024706133","doi":"10.1002/qua.560040740","title":"An investigation of the kohn-sham and slater approximations to the hartree-fock exchange potential","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":"Queen's University","funders":"","keywords":"Kohn–Sham equations; Virial theorem; Hartree–Fock method; Atomic orbital; Slater-type orbital; Binding energy; Quantum mechanics; Chemistry; Atom (system on chip); Atomic physics; Hartree; Linear combination of atomic orbitals; Physics; Electron; Density functional theory","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":[0.002928916,0.0002736966,0.0005356327,0.0007026872,0.000683461,0.0009202558,0.001018595,0.0005959447,0.00154634],"category_scores_gemma":[0.008386336,0.0002096431,0.0005254569,0.0008348647,0.001106464,0.001714422,0.0006545506,0.0008737022,0.000186882],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009756409,"about_ca_system_score_gemma":0.001072693,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002372815,"about_ca_topic_score_gemma":0.002067921,"domain_scores_codex":[0.9991227,0.0003757715,0.00002010994,0.00004051313,0.0003693918,0.00007152033],"domain_scores_gemma":[0.997572,0.001776268,0.0001268907,0.0002465663,0.0002314002,0.00004689582],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001070508,0.00005282271,0.001390545,0.0001377786,0.00003470709,0.0001350349,0.00025227,0.2141016,0.002382837,0.7609947,0.0005023475,0.01990831],"study_design_scores_gemma":[0.00001852317,0.0001061628,0.0009126658,0.00003155191,0.00001017503,0.0000943625,0.0001098508,0.876974,0.001171035,0.1191222,0.001425051,0.00002434904],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7393374,0.003525516,0.201599,0.001161312,0.0001402379,0.00007472395,0.0001428746,0.0002551906,0.05376365],"genre_scores_gemma":[0.9576879,0.000938802,0.03656403,0.000086833,0.00004553298,0.00008147766,0.00008390257,0.00007992353,0.004431522],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002928916,"threshold_uncertainty_score":0.01548976,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009254844226629307,"score_gpt":0.260271523596507,"score_spread":0.2510166793698776,"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."}}