{"id":"W2117119181","doi":"10.1002/qua.21431","title":"Variational estimates for exchange‐correlation interaction obtained within Super‐CI approach to MCSCF approximation","year":2007,"lang":"en","type":"article","venue":"International Journal of Quantum Chemistry","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Institute for Nanotechnology","funders":"","keywords":"Degenerate energy levels; Formalism (music); Feynman diagram; Physics; Configuration interaction; Quantum mechanics; Wave function; Perturbation theory (quantum mechanics); Electronic structure; Statistical physics; Mathematical physics; Molecule","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003437877,0.0001692303,0.0002032945,0.00007878341,0.00007230404,0.00005239962,0.0002665291,0.00005065527,0.0000526723],"category_scores_gemma":[0.0001527781,0.0001632006,0.0001493287,0.0001058805,0.00003035959,0.0003672523,0.00005463568,0.0002155818,0.000005907447],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001960729,"about_ca_system_score_gemma":0.00004990755,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005890739,"about_ca_topic_score_gemma":9.531821e-8,"domain_scores_codex":[0.9985821,0.000007163559,0.0006166876,0.0001846261,0.0004305934,0.0001788283],"domain_scores_gemma":[0.9980409,0.0002739099,0.0005742059,0.00008883709,0.000924897,0.00009729321],"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":[0.002544954,0.002226039,0.0106314,0.0003247432,0.001828889,0.000006781424,0.00478721,0.1991664,0.6934565,0.06638622,0.004329622,0.01431116],"study_design_scores_gemma":[0.003390795,0.000101448,0.001028078,0.0002450811,0.0001556726,0.00005205089,0.003062137,0.08691128,0.6068014,0.2961371,0.001504027,0.0006109826],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.132089,0.00002300693,0.862905,0.0002557574,0.000554089,0.0001269071,0.00004584379,0.0000155541,0.003984831],"genre_scores_gemma":[0.9640142,8.123754e-7,0.03369294,0.00004822157,0.001878277,0.00002017654,0.0002209557,0.0000213309,0.0001030794],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.8319252,"threshold_uncertainty_score":0.6655129,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01898038957556301,"score_gpt":0.3023984855351515,"score_spread":0.2834180959595885,"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."}}