{"id":"W4393356827","doi":"10.3390/molecules29071543","title":"Calculation of DC Stark Resonances for the Ammonia Molecule","year":2024,"lang":"en","type":"article","venue":"Molecules","topic":"Spectroscopy and Laser Applications","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Perpendicular; Molecular orbital; Planar; Atomic physics; Cartesian coordinate system; Valence (chemistry); Resonance (particle physics); Atomic orbital; Stark effect; Localized molecular orbitals; Scaling; Chemistry; Physics; Monotonic function; Molecule; Molecular physics; Valence bond theory; Geometry; Electric field; Quantum mechanics; Mathematics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00005401187,0.00006783074,0.00006514259,0.00001715621,0.00007408884,0.00002994498,0.0001282574,0.00003909568,0.00009568404],"category_scores_gemma":[0.00002079066,0.00004887282,0.00007256884,0.0001040196,0.00005291208,0.00002576536,0.0000165723,0.00005860831,0.000008929332],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001727649,"about_ca_system_score_gemma":0.00003092569,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000573305,"about_ca_topic_score_gemma":0.00003228841,"domain_scores_codex":[0.9995189,0.000004437457,0.00012382,0.0001505076,0.00009787544,0.0001044872],"domain_scores_gemma":[0.9995666,0.0001499001,0.00002721694,0.0002106392,0.00002863212,0.00001698778],"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":[0.0000304214,0.0000326882,0.0000713789,0.000181018,0.00006548235,0.000001744235,0.0002912728,0.0005143205,0.9391913,0.04715955,0.00535719,0.007103686],"study_design_scores_gemma":[0.00008282998,0.00001085101,0.0002370909,0.00004231858,0.00004421025,8.317494e-7,0.00007311364,0.02326935,0.8714149,0.002181782,0.1025762,0.00006651548],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8355797,0.02923471,0.1135015,0.004113577,0.0001642378,0.0004601574,0.0003218638,0.0003060452,0.01631822],"genre_scores_gemma":[0.9974964,0.00008551327,0.001095008,0.00003562902,0.00007530974,0.0001702733,0.00002898463,0.00001551902,0.0009974212],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1619167,"threshold_uncertainty_score":0.1992976,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01178647586863448,"score_gpt":0.2852771529645091,"score_spread":0.2734906770958747,"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."}}