{"id":"W2468826418","doi":"10.1016/j.ultramic.2017.01.018","title":"Real-space mapping of electronic orbitals","year":2017,"lang":"en","type":"article","venue":"Ultramicroscopy","topic":"Electronic and Structural Properties of Oxides","field":"Materials Science","cited_by":25,"is_retracted":false,"has_abstract":false,"ca_institutions":"McMaster University","funders":"Austrian Science Fund","keywords":"Atomic orbital; Electronic structure; Electron; Chemical bond; Condensed matter physics; Space (punctuation); Atomic physics; Chemical physics; Materials science; Chemistry; Physics; Molecular physics; Quantum mechanics; Computer science","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002611277,0.0001474664,0.0002548704,0.00003168475,0.0004200718,0.0001597421,0.0007196705,0.00007262181,0.000227561],"category_scores_gemma":[0.0001206106,0.0001170232,0.00006813095,0.00003084846,0.0003467975,0.0003268807,0.00007992089,0.0001316014,0.00008840856],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007901524,"about_ca_system_score_gemma":0.0001321646,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008417203,"about_ca_topic_score_gemma":0.00004027365,"domain_scores_codex":[0.9987469,0.00002849962,0.0002390102,0.0002676315,0.0001617823,0.0005561669],"domain_scores_gemma":[0.9989166,0.00003360486,0.0002745709,0.0006586454,0.00006630067,0.00005033323],"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":[0.00003043323,0.000009485691,0.0009582439,0.00003018342,0.000007855558,0.000001364924,0.0001578598,0.000005772774,0.9929085,0.00532493,0.0002049507,0.0003603786],"study_design_scores_gemma":[0.0002281819,0.0001130241,0.006011521,0.00004252558,0.000007322487,0.000007968054,0.00007725271,0.00002473605,0.989961,0.002417993,0.0009562299,0.0001522001],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9919077,0.0003390246,0.0001487779,0.0003156494,0.0001968142,0.0001313489,0.00000941796,0.00005884345,0.006892408],"genre_scores_gemma":[0.9963791,0.0002101756,0.00203876,0.00002888267,0.00005606839,0.000004314678,0.000002357414,0.00001661547,0.001263754],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005628654,"threshold_uncertainty_score":0.4772068,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01347541622430669,"score_gpt":0.2670695894704297,"score_spread":0.253594173246123,"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."}}