{"id":"W2046028912","doi":"10.1063/1.1545775","title":"Negative ion photoelectron spectra simulation of V3O from a density functional study","year":2003,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Consejo Nacional de Ciencia y Tecnología","keywords":"Ground state; Excited state; Atomic physics; Chemistry; Ion; Spectral line; Density functional theory; Atom (system on chip); Adiabatic process; Electron affinity (data page); Basis set; X-ray photoelectron spectroscopy; Molecular physics; Computational chemistry; Molecule; Physics; Nuclear magnetic resonance","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":[0.0002805192,0.0004326762,0.0004347177,0.0003295889,0.0005298291,0.0004296848,0.0009813588,0.0007961599,0.002587862],"category_scores_gemma":[0.0005988051,0.0002498611,0.0005148778,0.0004245468,0.0004667126,0.000321318,0.0003091222,0.000508056,0.0001320492],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009274257,"about_ca_system_score_gemma":0.0007402019,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.009956347,"about_ca_topic_score_gemma":0.005322815,"domain_scores_codex":[0.9998999,0.00002022059,0.00000215619,0.000008498927,0.00004059003,0.00002863384],"domain_scores_gemma":[0.9997728,0.0001248636,0.00001357253,0.00001492654,0.00004700243,0.00002677502],"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":[0.0001822924,0.0001162729,0.001816748,0.0001219762,0.0000322345,0.0004025632,0.0001592489,0.9739337,0.01008031,0.009237533,0.0006342779,0.003282803],"study_design_scores_gemma":[0.00002732743,0.00003995964,0.0007910102,0.000005381213,0.000005026952,0.00002911884,0.00003005071,0.9962803,0.001443649,0.001050474,0.0002902385,0.000007416187],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9720743,0.0001166836,0.01416637,0.0002053141,0.00002391233,0.00006588212,0.0004598759,0.000114728,0.01277295],"genre_scores_gemma":[0.992902,0.00008401163,0.00481384,0.00004055507,0.000007423973,0.00008163042,0.0003576143,0.00003108256,0.001681781],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009956347,"threshold_uncertainty_score":0.01979679,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01575991915359335,"score_gpt":0.2560915091155467,"score_spread":0.2403315899619534,"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."}}