{"id":"W1986013112","doi":"10.1063/1.3297887","title":"Multireference study of spin-orbit coupling in the hydrides of the 6p-block elements using the model core potential method","year":2010,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":34,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Multireference configuration interaction; Relativistic quantum chemistry; Spin–orbit interaction; Atomic physics; Scalar (mathematics); Chemistry; Coupled cluster; Potential energy; Perturbation theory (quantum mechanics); Coupling (piping); Physics; Configuration interaction; Quantum mechanics; Molecule; Excited state; Mathematics; Materials science; Geometry","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":[0.0005521363,0.0002044292,0.0003986478,0.00001279884,0.0001419768,0.00001275026,0.001144223,0.00003125177,0.000003024993],"category_scores_gemma":[0.00003590353,0.00008963727,0.000199034,0.0002708517,0.000282046,0.0001077613,0.0003222549,0.00108441,2.371988e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002043646,"about_ca_system_score_gemma":0.0000539354,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006944073,"about_ca_topic_score_gemma":0.000002147785,"domain_scores_codex":[0.998309,0.00006723477,0.000680319,0.0001206745,0.0005894467,0.0002333328],"domain_scores_gemma":[0.9977918,0.00044218,0.00100558,0.0004766745,0.0002538921,0.00002992618],"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":[0.00006366662,0.0006336005,0.001362757,0.000009558968,0.000145729,1.940473e-7,0.002179358,0.1380007,0.8563759,0.000765099,0.0000266411,0.000436785],"study_design_scores_gemma":[0.001171825,0.00006199195,0.0002449231,0.00007774701,0.0004050327,0.000002664226,0.003696552,0.1483507,0.687098,0.1587205,0.000003000009,0.0001670774],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9900728,0.00001939824,0.009380346,0.00007611229,0.00008333668,0.0002620924,0.00001344473,0.000002062604,0.00009041564],"genre_scores_gemma":[0.9980491,0.000002242443,0.001525211,0.00003113347,0.000366939,0.000003410552,8.493945e-7,0.00001792364,0.000003176969],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1692779,"threshold_uncertainty_score":0.4711283,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04451575061773069,"score_gpt":0.3453977074352039,"score_spread":0.3008819568174732,"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."}}