{"id":"W2575806361","doi":"10.3390/atoms5010003","title":"Combining Multiconfiguration and Perturbation Methods: Perturbative Estimates of Core–Core Electron Correlation Contributions to Excitation Energies in Mg-Like Iron","year":2017,"lang":"en","type":"article","venue":"Atoms","topic":"Atomic and Molecular Physics","field":"Physics and Astronomy","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Vetenskapsrådet","keywords":"Excitation; Physics; Atomic physics; Excited state; Core electron; Electronic correlation; Valence (chemistry); Perturbation theory (quantum mechanics); Spectral line; Core (optical fiber); Electron; Perturbation (astronomy); Configuration interaction; Valence electron; Quantum mechanics","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":[0.001233723,0.0009329466,0.0007554219,0.001633384,0.0009394389,0.0007322452,0.00211466,0.001088212,0.001561434],"category_scores_gemma":[0.003012119,0.0004855021,0.0005441767,0.001550231,0.0008211414,0.001011787,0.001011316,0.0008454094,0.0002913384],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001318971,"about_ca_system_score_gemma":0.001031362,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005434222,"about_ca_topic_score_gemma":0.006937978,"domain_scores_codex":[0.999435,0.0002111113,0.00002032095,0.00004787892,0.0001893032,0.00009625395],"domain_scores_gemma":[0.9981794,0.00108465,0.0001493729,0.0002835602,0.0001994532,0.0001036522],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0002472444,0.000210007,0.003270559,0.0001599503,0.0001302844,0.0003850225,0.0001971959,0.9233831,0.01034804,0.03330538,0.0007686873,0.02759462],"study_design_scores_gemma":[0.00001360588,0.00002047566,0.0007595159,0.000008182976,0.000008835512,0.00002394818,0.00001701497,0.9914467,0.002634129,0.004951664,0.00010005,0.00001583372],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7484425,0.0008538107,0.2228166,0.0004430768,0.000127865,0.0001461482,0.0001958817,0.001969593,0.02500451],"genre_scores_gemma":[0.9725515,0.000140571,0.02583598,0.00008084308,0.00003211774,0.00009639215,0.0000663034,0.0001575313,0.00103863],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005434222,"threshold_uncertainty_score":0.01080519,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01742450473698584,"score_gpt":0.3463202685896213,"score_spread":0.3288957638526355,"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."}}