{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001705584,0.0001291167,0.0001968684,0.00006070909,0.0002280764,0.00005093783,0.0000866634,0.00004878829,0.000007590131],"category_scores_gemma":[0.0001306799,0.0001292213,0.00003855456,0.0000636148,0.00007538102,0.0002832754,0.00003752483,0.0001010833,0.000003327718],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005035678,"about_ca_system_score_gemma":0.00004822412,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003804192,"about_ca_topic_score_gemma":0.00001337354,"domain_scores_codex":[0.9992861,0.00004593832,0.0002275372,0.0001965127,0.00009224664,0.0001517256],"domain_scores_gemma":[0.9991635,0.0001836428,0.0002610809,0.0001955728,0.0001519393,0.00004428382],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001218804,0.0001479946,0.0692123,0.00002648681,0.00008255463,7.196014e-7,0.010204,0.002186836,0.2234908,0.6416618,0.00009144096,0.0527732],"study_design_scores_gemma":[0.00285072,0.0002583016,0.287853,0.0001957974,0.0001403037,0.000001174851,0.002567332,0.4137739,0.11699,0.1745633,0.0002594712,0.000546771],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7414793,0.00003530168,0.2573844,0.0001125759,0.00007692882,0.0002464516,0.00001813586,0.00001185374,0.0006350598],"genre_scores_gemma":[0.9936145,0.000003990921,0.00597426,0.0000310371,0.00003349448,0.00004572131,0.0002065041,0.00001257692,0.00007791487],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4670984,"threshold_uncertainty_score":0.5269493,"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."}}