{"id":"W4402131777","doi":"10.1021/acs.jctc.4c01016","title":"Local Second Order Moller-Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: A Distributed Memory Implementation","year":2024,"lang":"en","type":"article","venue":"Journal of Chemical Theory and Computation","topic":"Quantum, superfluid, helium dynamics","field":"Physics and Astronomy","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Advanced Scientific Computing Research; Basic Energy Sciences; Office of Science","keywords":"Computer science; Atomic orbital; Order (exchange); Theoretical computer science; Physics; Quantum mechanics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006782441,0.0005577793,0.001044385,0.0006253097,0.0008501237,0.00116198,0.0028657,0.001117101,0.004732825],"category_scores_gemma":[0.001240503,0.0003794555,0.0006902487,0.0009690459,0.000903895,0.001327513,0.001274538,0.001173837,0.001288493],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008159874,"about_ca_system_score_gemma":0.001383664,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003014137,"about_ca_topic_score_gemma":0.003662141,"domain_scores_codex":[0.9996434,0.00009790023,0.00001400701,0.00003031281,0.0001592792,0.00005494995],"domain_scores_gemma":[0.9995276,0.0001358975,0.00002371501,0.0001262066,0.0001291531,0.0000574167],"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":[0.0002800704,0.0003267043,0.001117495,0.0002480195,0.00007603999,0.000521361,0.0002182408,0.5813511,0.01062267,0.3190261,0.004224229,0.08198791],"study_design_scores_gemma":[0.00002693139,0.00002364134,0.00003203771,0.00000480422,0.000004115425,0.00001508432,0.00001163696,0.9869818,0.000822689,0.01123431,0.0008366804,0.000006384217],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.0400294,0.0001817822,0.9465788,0.0002566441,0.00008854245,0.00009856302,0.00008131911,0.0009186497,0.01176625],"genre_scores_gemma":[0.453947,0.000262745,0.5354301,0.0001767346,0.00006906127,0.0005765546,0.0001809806,0.0005811297,0.008775731],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.004732825,"threshold_uncertainty_score":0.01583284,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01073286521758651,"score_gpt":0.2745707019787939,"score_spread":0.2638378367612074,"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."}}