{"id":"W2998617217","doi":"10.1063/1.5140669","title":"Capturing static and dynamic correlation with ΔNO-MP2 and ΔNO-CCSD","year":2020,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Winnipeg; University of Manitoba","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Correlation; Perturbation theory (quantum mechanics); Residual; Perturbation (astronomy); Potential energy; Diatomic molecule; Energy (signal processing); Excited state","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00004549805,0.0001442807,0.0002467445,0.000005890119,0.00005996714,0.00001832904,0.000101642,0.00001589957,0.000003801251],"category_scores_gemma":[0.00001034374,0.00009220593,0.00003855536,0.00008828145,0.000179485,0.0001792733,0.00008052224,0.0003681856,0.000001512966],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000173853,"about_ca_system_score_gemma":0.00001694653,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003285714,"about_ca_topic_score_gemma":6.411571e-8,"domain_scores_codex":[0.9993534,0.00001779334,0.000208573,0.00009889375,0.0001764298,0.0001448735],"domain_scores_gemma":[0.9992927,0.0001913363,0.0002532069,0.00007706753,0.00007932259,0.0001063383],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.001223201,0.0003871052,0.009526326,0.0003246355,0.001612435,0.000009916211,0.01815974,0.01823138,0.8897954,0.01099378,0.001060363,0.04867576],"study_design_scores_gemma":[0.004331027,0.0004611754,0.0006042006,0.0003253973,0.001092668,0.00002904096,0.003691759,0.03065333,0.2434242,0.7142156,0.0002988335,0.0008727022],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9583372,0.0001608243,0.04005418,0.0009215179,0.00001717512,0.00007114399,0.00000683571,0.000007866143,0.0004232845],"genre_scores_gemma":[0.9987757,0.00001545594,0.0007904894,0.0001169622,0.0002723294,0.000001012233,0.000002784989,0.00001809284,0.000007146609],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.7032219,"threshold_uncertainty_score":0.3760049,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007367980814337231,"score_gpt":0.2173642047829145,"score_spread":0.2099962239685773,"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."}}