{"id":"W4394686606","doi":"10.1063/5.0202035","title":"Coupled cluster-inspired geminal wavefunctions","year":2024,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":20,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Alliance de recherche numérique du Canada; Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Oak Ridge Associated Universities","keywords":"Geminal; Wave function; Ansatz; Coupled cluster; Theoretical physics; Physics; Quantum mechanics; Statistical physics; Chemistry; Molecule","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":[0.0008203815,0.0006749755,0.0009815056,0.001158656,0.001156961,0.00154712,0.002493578,0.001590282,0.004481951],"category_scores_gemma":[0.001401799,0.0003703161,0.0007893979,0.001003414,0.001333268,0.001592519,0.001685505,0.001463399,0.0009444422],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001067372,"about_ca_system_score_gemma":0.0009552786,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001593125,"about_ca_topic_score_gemma":0.001929538,"domain_scores_codex":[0.9996674,0.0001155368,0.00001509242,0.00003261678,0.0001140911,0.00005523214],"domain_scores_gemma":[0.9995679,0.0001117808,0.00002256038,0.0001195534,0.00009569932,0.00008256779],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00008041738,0.000046455,0.0002569474,0.00009814062,0.00002509163,0.0001063719,0.0001127045,0.0719749,0.003141499,0.9095745,0.002092572,0.01249045],"study_design_scores_gemma":[0.00002710293,0.00004779185,0.0001432787,0.00002279066,0.00000886436,0.00007446491,0.00006595936,0.8200154,0.001271668,0.1751651,0.003123159,0.00003435955],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.1836766,0.001317232,0.7481968,0.0009082032,0.0003935214,0.0001645559,0.0003551996,0.0005805548,0.06440742],"genre_scores_gemma":[0.8240656,0.0008797633,0.1487329,0.0004996649,0.00006914956,0.0003486321,0.0004188128,0.0002820505,0.02470345],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.004481951,"threshold_uncertainty_score":0.01499361,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01273150769298315,"score_gpt":0.2585654399183841,"score_spread":0.245833932225401,"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."}}