{"id":"W2082103970","doi":"10.1103/physrevb.63.054102","title":"Theoretical description of hole localization in a quartz Al center: The importance of exact electron exchange","year":2000,"lang":"en","type":"article","venue":"Physical review. B, Condensed matter","topic":"Luminescence Properties of Advanced Materials","field":"Materials Science","cited_by":267,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"","keywords":"Delocalized electron; Physics; Atom (system on chip); Hyperfine structure; Quadrupole; Atomic physics; Center (category theory); Muonium; Density functional theory; Metastability; Impurity; Electron; Spectral line; Cluster (spacecraft); Condensed matter physics; Crystallography; Quantum mechanics; Chemistry","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":[0.0003369889,0.0004637864,0.0006157934,0.0007484637,0.0008834297,0.0009741761,0.002471057,0.001598275,0.003611949],"category_scores_gemma":[0.0004094679,0.0002513358,0.0004869254,0.000454866,0.001640192,0.001153799,0.0005564895,0.0005303591,0.0004028593],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001032446,"about_ca_system_score_gemma":0.0007401571,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003694606,"about_ca_topic_score_gemma":0.00287134,"domain_scores_codex":[0.999879,0.00001916601,0.000003418468,0.0000176963,0.00004542367,0.00003527637],"domain_scores_gemma":[0.9998721,0.00005989973,0.00001235334,0.00002288842,0.00002062597,0.00001207152],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00005231133,0.00007354531,0.0006715838,0.0001245118,0.00002115006,0.0005165768,0.0002281581,0.4929149,0.007409305,0.4914772,0.001040482,0.005470325],"study_design_scores_gemma":[0.00001566554,0.00002101653,0.0002155895,0.000005370587,0.000004147263,0.00004814014,0.00004369662,0.9484652,0.0005410539,0.05022294,0.0004072334,0.000009903082],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5795304,0.0008827883,0.3533456,0.001771743,0.000131303,0.0001075411,0.000372901,0.000391603,0.06346612],"genre_scores_gemma":[0.9794658,0.0003170298,0.0127145,0.0001831068,0.00004016714,0.00009529462,0.00009340673,0.00007147891,0.007019225],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003694606,"threshold_uncertainty_score":0.01208317,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01280195086722273,"score_gpt":0.2878613914402504,"score_spread":0.2750594405730277,"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."}}