{"id":"W2080203173","doi":"10.1103/physrevb.73.045111","title":"First-principles calculations of hyperfine parameters with the all-electron mixed-basis method","year":2006,"lang":"en","type":"article","venue":"Physical Review B","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"Hatch (Canada)","funders":"","keywords":"Hyperfine structure; Basis (linear algebra); Representation (politics); Density functional theory; Isotropy; Context (archaeology); Physics; Wave function; Electron; Basis function; Anisotropy; Atom (system on chip); Spin (aerodynamics); Atomic physics; Statistical physics; Computational physics; Quantum mechanics; Computer science; Mathematics; Geometry; Thermodynamics","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":[0.001113648,0.0007364015,0.001234415,0.0011283,0.00112052,0.0008842247,0.002603089,0.001091179,0.003407666],"category_scores_gemma":[0.001249402,0.0004439295,0.0007840617,0.001288408,0.0004781407,0.001241946,0.0008140299,0.001212447,0.0008669721],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005540752,"about_ca_system_score_gemma":0.001736769,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003376815,"about_ca_topic_score_gemma":0.005039333,"domain_scores_codex":[0.9995932,0.0001252427,0.00001369741,0.00001915391,0.0002023831,0.00004641469],"domain_scores_gemma":[0.9995407,0.0001428892,0.00002705525,0.0001016407,0.0001502014,0.00003746283],"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":[0.0001313877,0.0001089698,0.0004577591,0.000507691,0.0001149534,0.0003267601,0.000134652,0.5859725,0.009006108,0.3394866,0.003735902,0.06001677],"study_design_scores_gemma":[0.00001823913,0.00001912002,0.0001515216,0.00001773794,0.000009452407,0.00002855052,0.00001546781,0.975587,0.001510564,0.02098177,0.001643395,0.00001726937],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.05558651,0.001067811,0.9268144,0.0002580058,0.00008178171,0.0001592576,0.0004441027,0.0006235384,0.01496456],"genre_scores_gemma":[0.4929228,0.001105186,0.4956836,0.0001944939,0.00003614341,0.0009123469,0.0005534373,0.0003207382,0.008271329],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.003407666,"threshold_uncertainty_score":0.01139975,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02118062791763911,"score_gpt":0.3109591361922769,"score_spread":0.2897785082746378,"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."}}