{"id":"W2083197600","doi":"10.1063/1.2943142","title":"Rotationally invariant <i>ab initio</i> evaluation of Coulomb and exchange parameters for DFT+U calculations","year":2008,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":346,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Army Research Office; Natural Sciences and Engineering Research Council of Canada","keywords":"Ab initio; Coulomb; Density functional theory; Basis set; Atomic orbital; Invariant (physics); Physics; Ab initio quantum chemistry methods; Hybrid functional; Atomic physics; Quantum mechanics; Electron; Molecule","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.062638116967106,"score_gpt":0.3049675001069941,"score_spread":0.2423293831398881,"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."}}