{"id":"W1967710579","doi":"10.1063/1.1878632","title":"Approximate density functionals applied to molecular quantum dots","year":2005,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Quantum and electron transport phenomena","field":"Physics and Astronomy","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Quantum dot; Density functional theory; Conductance; Kondo effect; Physics; Condensed matter physics; Kohn–Sham equations; Hybrid functional; Local-density approximation; Orbital-free density functional theory; Quantum mechanics; Electronic structure; Spin (aerodynamics); Quantum; Electrical resistivity and conductivity","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":[0.00277879,0.0008270008,0.001883577,0.001602987,0.001255258,0.001456946,0.00181815,0.001723583,0.003045034],"category_scores_gemma":[0.002711035,0.0005792914,0.0009170133,0.00182412,0.001066758,0.0009947512,0.001626956,0.001192225,0.0009364706],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001866148,"about_ca_system_score_gemma":0.001606881,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006550513,"about_ca_topic_score_gemma":0.005944396,"domain_scores_codex":[0.9988815,0.0006809307,0.00004515465,0.0000343156,0.0002781548,0.00007992659],"domain_scores_gemma":[0.998961,0.0005057114,0.00004172246,0.0001984894,0.0002310205,0.00006217139],"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":[0.00005111191,0.00008210645,0.0005720931,0.0003673742,0.0001216809,0.0003410735,0.0001654479,0.4551966,0.002263513,0.5209447,0.001689179,0.01820515],"study_design_scores_gemma":[0.00001854514,0.00001396129,0.00007292493,0.00002452289,0.000007280503,0.00002113997,0.00002048726,0.9613919,0.0003498348,0.03636313,0.001705485,0.00001077266],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.07082346,0.004734508,0.8863048,0.001685387,0.0005039035,0.0004416495,0.0005085765,0.0009150378,0.03408265],"genre_scores_gemma":[0.591686,0.003731601,0.3857687,0.0006768007,0.0002221343,0.002094527,0.0007283301,0.0005637499,0.0145281],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.006550513,"threshold_uncertainty_score":0.01469576,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008114752280230052,"score_gpt":0.2180917684118827,"score_spread":0.2099770161316527,"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."}}