{"id":"W1996585321","doi":"10.1063/1.1398089","title":"Energy versus amplitude corrected coupled-cluster approaches. II. Breaking the triple bond","year":2001,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":79,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"Rocky Mountain Research Station; Natural Sciences and Engineering Research Council of Canada","keywords":"Coupled cluster; Wave function; Dissociation (chemistry); Potential energy; Bond-dissociation energy; Physics; Space (punctuation); Amplitude; Quantum mechanics; Atomic physics; Chemistry; Molecule; Computer science; Physical chemistry","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":[0.0008739725,0.0004965684,0.0006961902,0.001032383,0.0007783964,0.0007928311,0.001869934,0.001409176,0.003524381],"category_scores_gemma":[0.003115977,0.0001530277,0.0006235675,0.001305033,0.0007230975,0.001051329,0.0009472828,0.0008774829,0.0007089803],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008550016,"about_ca_system_score_gemma":0.0009956203,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00598989,"about_ca_topic_score_gemma":0.006432288,"domain_scores_codex":[0.9994317,0.0002195364,0.00001888072,0.00004477379,0.0002268868,0.00005827392],"domain_scores_gemma":[0.9989766,0.0004493039,0.00005261932,0.0002054742,0.0002741138,0.00004187771],"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":[0.0001723322,0.00009629918,0.0005275258,0.0003336704,0.0001057352,0.0001723421,0.0001176506,0.6489598,0.003374427,0.2919759,0.003424324,0.05074003],"study_design_scores_gemma":[0.00001274924,0.00002326642,0.0001455979,0.000009653128,0.000009590209,0.00001819333,0.00002259867,0.9742968,0.001025109,0.02343262,0.0009931045,0.00001068621],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2064629,0.006150883,0.7101852,0.001851466,0.001256759,0.0003963154,0.0007752,0.001702873,0.07121834],"genre_scores_gemma":[0.8274257,0.001487082,0.1612267,0.0003871859,0.000129379,0.0002595217,0.0003346178,0.0004125269,0.008337251],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.00598989,"threshold_uncertainty_score":0.01191002,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02921027128168175,"score_gpt":0.2487678841964232,"score_spread":0.2195576129147415,"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."}}