{"id":"W2612923944","doi":"10.5539/mas.v12n3p132","title":"Electronic Structure and Dipole Moment Calculations of the Electronic States of the Molecule ZnS","year":2018,"lang":"en","type":"article","venue":"Modern Applied Science","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Dipole; Complete active space; Diatomic molecule; Atomic physics; Electronic structure; Singlet state; Moment (physics); Ab initio; Multireference configuration interaction; Field (mathematics); Potential energy; Configuration interaction; Ab initio quantum chemistry methods; Rotational spectroscopy; Physics; Molecule; Excited state; Quantum mechanics; Molecular orbital; Mathematics","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000156917,0.0002340095,0.0004265338,0.0007189384,0.0005492886,0.0003234867,0.0008074559,0.0004549345,0.003967475],"category_scores_gemma":[0.0003574631,0.0001683934,0.0003326087,0.0005856268,0.0003429941,0.0003770323,0.0003022867,0.0003012274,0.0003119977],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005108916,"about_ca_system_score_gemma":0.0005342502,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003116251,"about_ca_topic_score_gemma":0.004722652,"domain_scores_codex":[0.9999239,0.0000131613,0.000002980581,0.000007043502,0.00003281137,0.00002014341],"domain_scores_gemma":[0.9998702,0.00004286973,0.00001459013,0.00002262512,0.00003856673,0.0000110913],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0003268066,0.000142128,0.006843852,0.0006354732,0.00007660721,0.0007151307,0.0003098114,0.8325737,0.06276806,0.06357221,0.001571792,0.03046444],"study_design_scores_gemma":[0.00006734646,0.0001305192,0.004645357,0.00003665134,0.00002448589,0.0001113214,0.0002545413,0.9657946,0.01594516,0.01060532,0.002362632,0.00002209742],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9631458,0.0004500855,0.02213557,0.0001840273,0.0000220525,0.00003331181,0.0004521126,0.000151248,0.01342577],"genre_scores_gemma":[0.9926711,0.0001280976,0.005719969,0.00002228577,0.000005332581,0.00002434675,0.0002348826,0.00002466894,0.001169321],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003967475,"threshold_uncertainty_score":0.01327246,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003301411967017309,"score_gpt":0.221124712762098,"score_spread":0.2178233007950807,"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."}}