{"id":"W2518012304","doi":"10.1063/1.4961071","title":"Generalized average local ionization energy and its representations in terms of Dyson and energy orbitals","year":2016,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"","keywords":"Ionization; Atomic orbital; Energy (signal processing); Atomic physics; Ionization energy; Physics; Mathematical physics; Computational chemistry; Chemistry; Quantum mechanics; Electron; Ion","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":[0.00005867639,0.0001123515,0.0002555519,0.00001939555,0.00002834621,0.000005862995,0.0001039026,0.00002396004,0.000007402653],"category_scores_gemma":[0.00001558896,0.00006615893,0.00005006614,0.000116412,0.0001588967,0.0001956967,0.00009312775,0.00007222399,1.787304e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002142418,"about_ca_system_score_gemma":0.00001156701,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001764774,"about_ca_topic_score_gemma":4.527646e-7,"domain_scores_codex":[0.9992684,0.00003854998,0.0003242214,0.00009382513,0.0001502621,0.0001247646],"domain_scores_gemma":[0.9992123,0.0002526566,0.0002897674,0.0001001208,0.00009367353,0.00005147676],"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":[0.0000697634,0.00009636222,0.0008237024,0.00000838283,0.00006920467,5.966826e-7,0.0001859844,0.0004456396,0.9114992,0.06791245,0.0001208873,0.01876784],"study_design_scores_gemma":[0.0006426855,0.00001760192,0.00005142388,0.00004827905,0.00002506457,0.000001762668,0.00002688467,0.0002670604,0.6501014,0.3487018,0.00004739598,0.00006859011],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9055164,0.000209432,0.09294539,0.0003228543,0.00003138301,0.00002646082,0.00001347973,0.000003704517,0.0009308489],"genre_scores_gemma":[0.9994,0.000128601,0.0001325314,0.00002826081,0.0002326985,0.000002127639,0.000002851903,0.00001200358,0.00006099343],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2807894,"threshold_uncertainty_score":0.2697883,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009240601180731788,"score_gpt":0.2444840777246341,"score_spread":0.2352434765439023,"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."}}