{"id":"W4399359129","doi":"10.20944/preprints202406.0205.v1","title":"Calculation of Low-Lying Electronic Excitations of Magnesium Monofluoride: How Well Do Coupled-Cluster Methods Work?","year":2024,"lang":"en","type":"preprint","venue":"Preprints.org","topic":"Inorganic Fluorides and Related Compounds","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Cluster (spacecraft); Lying; Work (physics); Magnesium; Coupled cluster; Physics; Materials science; Computer science; Thermodynamics; Metallurgy; Quantum mechanics; Medicine","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":["metaepi_narrow","research_integrity","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.001108575,0.000588365,0.0008707058,0.0003050089,0.0000980168,0.00005705036,0.0008430326,0.001077619,0.002129669],"category_scores_gemma":[0.000247005,0.0005998671,0.0006134662,0.0004902675,0.0001643724,0.00008909465,0.002090866,0.002398287,0.0002390754],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004696896,"about_ca_system_score_gemma":0.0005229208,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001508403,"about_ca_topic_score_gemma":0.000004131746,"domain_scores_codex":[0.9963959,0.0001534237,0.001152929,0.001151084,0.0005352813,0.0006113379],"domain_scores_gemma":[0.9964458,0.0003479245,0.0008578282,0.001747982,0.0004773778,0.0001230567],"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":[0.0002478664,0.0003207242,0.01497963,0.008685915,0.001298839,0.00001606552,0.002696152,0.01515651,0.9516236,0.002628883,0.0001542145,0.002191628],"study_design_scores_gemma":[0.0007976985,0.00002679232,0.003581131,0.00196683,0.001073771,0.000022822,0.0003529285,0.02319922,0.9472858,0.01870893,0.001954206,0.001029848],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9810725,0.004456938,0.002895905,0.0005646006,0.001157319,0.0004445858,0.00002315181,0.0002276593,0.009157376],"genre_scores_gemma":[0.9881737,0.0005062341,0.001848161,0.00001326975,0.0002845979,0.0001228796,0.00009792583,0.0001400762,0.008813192],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01608004,"threshold_uncertainty_score":0.9999032,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04371624914007945,"score_gpt":0.3320318145649847,"score_spread":0.2883155654249052,"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."}}