{"id":"W1999921067","doi":"10.1103/physreva.69.012502","title":"Variational method for inverting the Kohn-Sham procedure","year":2004,"lang":"en","type":"article","venue":"Physical Review A","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":40,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Kohn–Sham equations; Physics; Neon; Ground state; Variational method; Variational principle; Density functional theory; Atomic physics; Quantum mechanics; Atom (system on chip); Argon","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001974109,0.0007082678,0.0008451013,0.001026922,0.0007426518,0.000779865,0.001988091,0.0008375946,0.006282866],"category_scores_gemma":[0.002618531,0.000398443,0.001086488,0.0008263375,0.0008749557,0.000873299,0.001489532,0.002065595,0.001789255],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005924688,"about_ca_system_score_gemma":0.001752593,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002711631,"about_ca_topic_score_gemma":0.003629142,"domain_scores_codex":[0.9993041,0.0002824838,0.00002769182,0.00005487919,0.0002793192,0.0000515471],"domain_scores_gemma":[0.9993523,0.0003283838,0.00002939757,0.00009684667,0.0001563455,0.00003670469],"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":[0.00002814603,0.0000427899,0.0001959181,0.0001534999,0.00006730165,0.0001329123,0.00009700693,0.1197243,0.003963953,0.8242795,0.003241121,0.04807351],"study_design_scores_gemma":[0.0000163099,0.0000284588,0.0001424454,0.00002865521,0.00001379949,0.00006852056,0.00002207223,0.7612036,0.001376034,0.2259533,0.01111733,0.00002952628],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.001291458,0.0001255241,0.9934382,0.00009848932,0.00008090138,0.00007269416,0.0001013857,0.0001250476,0.004666377],"genre_scores_gemma":[0.05620239,0.0004439766,0.9310349,0.0001659845,0.0001164978,0.0007283278,0.0002414427,0.0004923877,0.01057415],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.006282866,"threshold_uncertainty_score":0.02101827,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02102826811882301,"score_gpt":0.3589968118521957,"score_spread":0.3379685437333727,"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."}}