{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007378745,0.00008372813,0.0001026493,0.00001472856,0.00006017897,0.00003066256,0.0003415848,0.00001808529,0.00003417268],"category_scores_gemma":[0.00001184202,0.00005193,0.00007726971,0.00005844657,0.00006690673,0.0001576785,0.00005567721,0.0001505538,9.980622e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002011844,"about_ca_system_score_gemma":0.0000242573,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004963055,"about_ca_topic_score_gemma":1.919681e-7,"domain_scores_codex":[0.9992907,0.00001336734,0.0002554567,0.00008287726,0.0002772289,0.00008033991],"domain_scores_gemma":[0.9992402,0.00002575957,0.0002822256,0.0001202612,0.0002800319,0.00005156555],"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":[0.00005422521,0.0001397044,0.003808463,0.00001207615,0.0001796436,0.000001616696,0.001565879,0.002063402,0.9806469,0.002146176,0.001781095,0.007600782],"study_design_scores_gemma":[0.0006822629,0.00005878861,0.01169819,0.0001329185,0.00006198014,0.0000224131,0.0007865497,0.001624714,0.8080693,0.1759596,0.0007252756,0.0001779902],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9871535,0.00004771648,0.007307495,0.004835225,0.0001372082,0.00005079773,0.00003047456,0.000003228283,0.0004343601],"genre_scores_gemma":[0.9986866,0.0000026645,0.000399422,0.0001543894,0.0006863301,0.000002241852,0.000006938736,0.000005083056,0.00005635569],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1738134,"threshold_uncertainty_score":0.2117644,"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."}}