{"id":"W2020196794","doi":"10.1063/1.2194543","title":"Reduced multireference coupled cluster method with singles and doubles: Perturbative corrections for triples","year":2006,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":87,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"","keywords":"Coupled cluster; Basis set; Multireference configuration interaction; Wave function; Chemistry; Atomic physics; Computational chemistry; Physics; Molecule; Quantum mechanics; Density functional theory","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001098881,0.0001850107,0.0003384656,0.0000129131,0.0001353869,0.00002385526,0.0001492766,0.00002464798,0.000003068199],"category_scores_gemma":[0.0000189594,0.0001083763,0.0001046659,0.0001180365,0.0002151294,0.000156319,0.00004730141,0.0002588245,4.243971e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003420261,"about_ca_system_score_gemma":0.00003632112,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002463445,"about_ca_topic_score_gemma":4.226599e-7,"domain_scores_codex":[0.999211,0.00002359,0.0002836982,0.0001237845,0.0001640446,0.0001939034],"domain_scores_gemma":[0.9980636,0.001055218,0.0003780535,0.0001190758,0.0003340854,0.00004992068],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0009723047,0.0004141938,0.0002454264,0.00003193357,0.0003457211,2.309939e-7,0.001133909,0.003388065,0.9759955,0.009029204,0.001190057,0.007253479],"study_design_scores_gemma":[0.00194332,0.0001183831,0.00002892557,0.00007471406,0.0002670137,0.000003699318,0.0006684405,0.003042097,0.6951049,0.298362,0.0001767468,0.0002097737],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5618275,0.00008337693,0.4367607,0.0002844289,0.0000595645,0.0002201364,0.00002202903,0.00001169656,0.0007306208],"genre_scores_gemma":[0.9836932,0.000003566082,0.01530409,0.00003512033,0.0008318853,0.00001276523,0.000008331274,0.00002205731,0.00008902228],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4218657,"threshold_uncertainty_score":0.4419457,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01773927721424285,"score_gpt":0.2782795135093316,"score_spread":0.2605402362950887,"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."}}