{"id":"W2052543476","doi":"10.1007/s00214-007-0349-8","title":"Relativistic calculations on the ground and excited states of AgH and AuH in cylindrical harmonic confinement","year":2007,"lang":"en","type":"article","venue":"Theoretical Chemistry Accounts","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":13,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"","keywords":"Hamiltonian (control theory); Excited state; Physics; Ground state; Atomic physics; Spin–orbit interaction; Relativistic quantum chemistry; Coupling constant; Perturbation theory (quantum mechanics); Potential energy; Quantum electrodynamics; Quantum mechanics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008673184,0.0004842011,0.001338932,0.001298273,0.002073507,0.0009752032,0.002162351,0.001041392,0.005916496],"category_scores_gemma":[0.00141507,0.0005034995,0.0009233518,0.00153693,0.001944076,0.0008934551,0.001247538,0.001024428,0.0004922757],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002341066,"about_ca_system_score_gemma":0.001412492,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01597771,"about_ca_topic_score_gemma":0.02457469,"domain_scores_codex":[0.9996498,0.00007424367,0.000008590763,0.00001359543,0.0001155911,0.0001381873],"domain_scores_gemma":[0.9991943,0.0003195909,0.00008355031,0.0001215826,0.0001767106,0.0001041921],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0003354709,0.0001053968,0.001701963,0.0002618233,0.00006478644,0.0005179486,0.0005324471,0.4495806,0.004256275,0.5283391,0.004108752,0.01019537],"study_design_scores_gemma":[0.0001171714,0.00007238025,0.002252153,0.00002179667,0.00002828605,0.00005729709,0.0002993276,0.94749,0.001335255,0.04704909,0.001227787,0.00004957865],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.828362,0.0007391768,0.03236561,0.001595105,0.000178811,0.0001097997,0.0003301633,0.000687879,0.1356313],"genre_scores_gemma":[0.9885845,0.0001941105,0.004282071,0.0002129252,0.00006181939,0.00005972634,0.00009149644,0.00008901388,0.006424252],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01597771,"threshold_uncertainty_score":0.03176939,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008281991653857264,"score_gpt":0.2537083231646223,"score_spread":0.245426331510765,"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."}}