{"id":"W2036949756","doi":"10.1063/1.4908564","title":"An efficient implementation of the localized operator partitioning method for electronic energy transfer","year":2015,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada; Air Force Office of Scientific Research; Canadian Network for Research and Innovation in Machining Technology, Natural Sciences and Engineering Research Council of Canada","keywords":"Operator (biology); Energy transfer; Computer science; Transfer (computing); Transfer operator; Energy (signal processing); Parallel computing; Physics; Mathematics; Chemistry; Engineering physics; Statistics","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":[0.0005573982,0.0005671959,0.0006295705,0.0003997398,0.0006565367,0.0005330601,0.001610028,0.0009245314,0.007458101],"category_scores_gemma":[0.001179137,0.0002971378,0.0005070145,0.0005728192,0.0003893544,0.0006413213,0.0009083066,0.001111996,0.001864351],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000408591,"about_ca_system_score_gemma":0.001017438,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002443461,"about_ca_topic_score_gemma":0.003375316,"domain_scores_codex":[0.999712,0.00009243672,0.00001161598,0.00002441489,0.0001263236,0.00003323862],"domain_scores_gemma":[0.9996552,0.0001604397,0.00001717583,0.00005094823,0.00009337709,0.00002279985],"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":[0.0002257773,0.0002541188,0.0008596039,0.0003277714,0.0001073736,0.0005179432,0.0003789456,0.4700614,0.03754364,0.1270492,0.008562163,0.354112],"study_design_scores_gemma":[0.00002197282,0.00002432824,0.00006480036,0.000004618607,0.000003608725,0.00003907386,0.00001461966,0.9885421,0.002491586,0.006680703,0.002102538,0.00001007186],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.005973218,0.00004562783,0.9910638,0.00006117563,0.00002971788,0.00006892679,0.00003851637,0.0005857749,0.00213314],"genre_scores_gemma":[0.09637404,0.0000692374,0.8996686,0.00005555656,0.00001708987,0.0003255426,0.0001453598,0.0003431351,0.003001471],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.007458101,"threshold_uncertainty_score":0.02494979,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01696062561412615,"score_gpt":0.3281985316965407,"score_spread":0.3112379060824146,"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."}}