{"id":"W2009412440","doi":"10.1103/physrevb.84.201402","title":"Electronic energy level alignment at metal-molecule interfaces with a<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math>approach","year":2011,"lang":"lv","type":"article","venue":"Physical Review B","topic":"Molecular Junctions and Nanostructures","field":"Engineering","cited_by":83,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada; Office of Science; Basic Energy Sciences; National Energy Research Scientific Computing Center; U.S. Department of Energy","keywords":"Ionization energy; Density functional theory; Work function; Energy (signal processing); Electronic structure; Atomic physics; Random phase approximation; Physics; Ionization; Condensed matter physics; Quantum mechanics; Electrode","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":[0.0003047391,0.0004698792,0.0004032477,0.0006310079,0.000507707,0.0006799028,0.0009165565,0.0008289211,0.002898083],"category_scores_gemma":[0.0004913817,0.0003103663,0.0004389054,0.0006430544,0.0003734359,0.0007279568,0.0004983332,0.0005638357,0.0005357169],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007428497,"about_ca_system_score_gemma":0.0005417433,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001829607,"about_ca_topic_score_gemma":0.00253942,"domain_scores_codex":[0.9998662,0.00002569715,0.00000603235,0.00001375561,0.00006235753,0.00002581959],"domain_scores_gemma":[0.999885,0.00003434483,0.00001656535,0.00002841611,0.00002856337,0.000007087537],"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":[0.0003354278,0.0003494218,0.004956638,0.0003879396,0.00009700905,0.000447365,0.0002559302,0.7565211,0.1171246,0.09091456,0.002561071,0.02604887],"study_design_scores_gemma":[0.00002359276,0.000041543,0.0008839085,0.00001024594,0.00001063607,0.00003117088,0.00003762724,0.978101,0.01512165,0.005152816,0.0005728937,0.00001301157],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7939274,0.0002406283,0.1830512,0.0004241475,0.00008209154,0.0001253547,0.0003887021,0.001379077,0.02038143],"genre_scores_gemma":[0.9469186,0.00013605,0.05042474,0.00007264258,0.00001192286,0.0001296635,0.0002130363,0.0001457731,0.001947572],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002898083,"threshold_uncertainty_score":0.009695113,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01863949080712309,"score_gpt":0.2315889285495762,"score_spread":0.2129494377424532,"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."}}