{"id":"W2056043408","doi":"10.1002/qua.22200","title":"Green's function method in quantum chemistry: New numerical algorithm for the Dirac equation with complex energy and Fermi‐model nuclear potential","year":2009,"lang":"en","type":"article","venue":"International Journal of Quantum Chemistry","topic":"Atomic and Molecular Physics","field":"Physics and Astronomy","cited_by":41,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"University of Alberta","keywords":"Perturbation theory (quantum mechanics); Physics; Dirac equation; Gauge theory; Quantum mechanics; Differential equation","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001437348,0.0001487215,0.0001874411,0.00001910764,0.00005836873,0.00006249621,0.0002420743,0.00004765543,0.00005606089],"category_scores_gemma":[0.000006351696,0.0001138226,0.0001206094,0.00005530219,0.00003277373,0.0001349836,0.00002997658,0.0001771412,3.545878e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000523683,"about_ca_system_score_gemma":0.0001398311,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00008505598,"about_ca_topic_score_gemma":1.408461e-7,"domain_scores_codex":[0.999054,0.00001771695,0.000309809,0.0001594159,0.0003155348,0.0001435216],"domain_scores_gemma":[0.9992282,0.00005206943,0.0003398048,0.00009382451,0.0002025097,0.00008356068],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0009182439,0.0004709252,0.0001387415,0.00001554101,0.0006901541,0.0000275134,0.0002465638,0.02370763,0.2985957,0.02116868,0.001579227,0.6524411],"study_design_scores_gemma":[0.001508873,0.00005620836,0.000208537,0.00003374179,0.00007614355,0.00005010034,0.0001863366,0.957684,0.0112189,0.02734231,0.001486973,0.0001478512],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.02131036,0.00004525621,0.9770264,0.001274968,0.00006652951,0.00004271431,0.00001756873,0.000006049265,0.0002101641],"genre_scores_gemma":[0.9907736,0.000006367218,0.007915636,0.0001771585,0.0009000102,0.000002247653,0.0000469557,0.0000169614,0.000161044],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.9694633,"threshold_uncertainty_score":0.4641552,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01577408209572193,"score_gpt":0.269936774125394,"score_spread":0.254162692029672,"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."}}