{"id":"W2622673529","doi":"10.1063/1.4984229","title":"Formulation of state projected centroid molecular dynamics: Microcanonical ensemble and connection to the Wigner distribution","year":2017,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Quantum, superfluid, helium dynamics","field":"Physics and Astronomy","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"National Institutes of Health; Natural Sciences and Engineering Research Council of Canada; Wellcome Trust; Wellcome","keywords":"Centroid; Path integral formulation; Microcanonical ensemble; Operator (biology); Ground state; Eigenvalues and eigenvectors; Harmonic oscillator; Mathematics; Quantum mechanics; Statistical physics; Phase space; Canonical ensemble; Physics; Quantum; Geometry","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":[0.0007035053,0.0004947871,0.0005915395,0.0006942201,0.0005526398,0.0009887241,0.001605427,0.0009531452,0.003190124],"category_scores_gemma":[0.00134934,0.0002823521,0.0005022982,0.0007605524,0.001670625,0.002205514,0.001081644,0.001385078,0.0004604404],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001143721,"about_ca_system_score_gemma":0.001097069,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002049512,"about_ca_topic_score_gemma":0.001494028,"domain_scores_codex":[0.99978,0.0000643906,0.00001032311,0.00003551218,0.00008383872,0.0000259279],"domain_scores_gemma":[0.9996926,0.00009495582,0.00004020514,0.0000576351,0.0000697792,0.00004486388],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.000006966765,0.000008418129,0.00009923292,0.00001652594,0.00000423543,0.00004600631,0.00004561948,0.0533454,0.001116222,0.9411516,0.0002794287,0.003880318],"study_design_scores_gemma":[0.00000387105,0.00001392671,0.00006501448,0.000005662522,0.000001912134,0.00004206843,0.00001279299,0.8376096,0.0004490401,0.1595868,0.002196678,0.00001259834],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.01676164,0.0005002512,0.9738797,0.0003347189,0.0001344496,0.00005401486,0.00009284647,0.00007124688,0.008171145],"genre_scores_gemma":[0.5038557,0.001638345,0.4804464,0.0002275147,0.0002315555,0.0004505384,0.0002123588,0.0002334872,0.01270413],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.003190124,"threshold_uncertainty_score":0.01067203,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006570250164315244,"score_gpt":0.241391791065529,"score_spread":0.2348215409012137,"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."}}