{"id":"W2886153325","doi":"10.1063/1.5030644","title":"Atomic versus molecular Auger decay in CH2Cl2 and CD2Cl2 molecules","year":2018,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":22,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Light Source (Canada)","funders":"National Research Council Canada; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Natural Sciences and Engineering Research Council of Canada; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior; Canada Foundation for Innovation","keywords":"Auger; Ab initio; Molecule; Chemistry; Atomic physics; Ab initio quantum chemistry methods; Dissociation (chemistry); Multireference configuration interaction; Configuration interaction; Autoionization; Singlet state; Excitation; Molecular physics; Excited state; Physics; Physical chemistry; Photoionization; Quantum mechanics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002389699,0.0002727159,0.0002013565,0.0004969432,0.0003625508,0.0004040397,0.000419137,0.0004022911,0.002761838],"category_scores_gemma":[0.0005649522,0.000116717,0.00009753768,0.0004679849,0.0003794967,0.0003601084,0.0001892495,0.000327838,0.0001769195],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008724735,"about_ca_system_score_gemma":0.0002198666,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002757847,"about_ca_topic_score_gemma":0.003018562,"domain_scores_codex":[0.9998633,0.00001794623,0.000003303195,0.00003491794,0.00003238193,0.00004806114],"domain_scores_gemma":[0.9997477,0.0001122574,0.00005625811,0.00001414861,0.00004982767,0.0000198465],"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":[0.001345014,0.00009525437,0.005342176,0.0002890374,0.00002822319,0.0005366898,0.0003674114,0.005401792,0.9747823,0.003370878,0.0004960226,0.007945199],"study_design_scores_gemma":[0.0003111079,0.001006738,0.04526518,0.00004822531,0.00006859089,0.0006559129,0.0007799101,0.08955774,0.8558938,0.001622491,0.004715096,0.00007529465],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9953804,0.0004226609,0.0009011746,0.00007868018,0.000008701551,0.00001132573,0.0001564257,0.00004505254,0.002995699],"genre_scores_gemma":[0.9984383,0.0001246245,0.0004162772,0.00001983554,0.000002323354,0.000008352814,0.0001571831,0.00001145492,0.0008216249],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002761838,"threshold_uncertainty_score":0.009239256,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009724992378047055,"score_gpt":0.2616260145122151,"score_spread":0.251901022134168,"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."}}