{"id":"W2143379966","doi":"10.1002/jcc.20063","title":"An evaluation of the radial part of numerical integration commonly used in DFT","year":2004,"lang":"en","type":"article","venue":"Journal of Computational Chemistry","topic":"Superconducting Materials and Applications","field":"Engineering","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"Memorial University of Newfoundland","keywords":"Numerical integration; Grid; Quadrature (astronomy); Computer science; Pruning; Applied mathematics; Scheme (mathematics); Radial basis function; Algorithm; Mathematics; Physics; Mathematical analysis; Geometry; Artificial intelligence; Artificial neural network","routes":{"ca_aff":true,"ca_fund":true,"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":[0.003689011,0.0009757906,0.0007731992,0.0007064342,0.000668951,0.0009370404,0.001330651,0.001333997,0.002811805],"category_scores_gemma":[0.01596463,0.000239432,0.0006630237,0.0008206461,0.0008471835,0.00196676,0.001123941,0.001618364,0.001036134],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006689637,"about_ca_system_score_gemma":0.0009809934,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00185771,"about_ca_topic_score_gemma":0.002067521,"domain_scores_codex":[0.9982475,0.0006031051,0.00007964963,0.00009753888,0.0008827613,0.00008950502],"domain_scores_gemma":[0.9960086,0.002338668,0.0001763477,0.0005268688,0.0008780524,0.00007147401],"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":[0.0003406407,0.0002093286,0.002029773,0.0008904684,0.0001223429,0.0006143856,0.0005029549,0.2177603,0.04315875,0.5020107,0.005692362,0.226668],"study_design_scores_gemma":[0.00002310844,0.00008586817,0.0006321791,0.00009993358,0.00003409999,0.0002539352,0.00003879521,0.9501997,0.0119283,0.02970358,0.006966914,0.00003357618],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.01779443,0.001825646,0.9687301,0.0003917464,0.0003063911,0.00007405159,0.00006185072,0.000488686,0.01032712],"genre_scores_gemma":[0.2556049,0.002135548,0.7339399,0.0003587519,0.0001332453,0.0002470557,0.0001811695,0.001063307,0.006335959],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.003689011,"threshold_uncertainty_score":0.01950955,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03050862836034815,"score_gpt":0.283420624099904,"score_spread":0.2529119957395558,"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."}}