{"id":"W2104904880","doi":"10.1002/poc.1606","title":"Dispersion interactions in density‐functional theory","year":2009,"lang":"en","type":"article","venue":"Journal of Physical Organic Chemistry","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":363,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Institute for Nanotechnology","funders":"","keywords":"Dispersion (optics); Density functional theory; Parameterized complexity; Chemistry; Statistical physics; Perspective (graphical); Computational chemistry; Chemical physics; Nanotechnology; Computer science; Quantum mechanics; Physics; Artificial intelligence; Materials science; Algorithm","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":[0.003013451,0.000803087,0.001593691,0.001577731,0.001300146,0.001535631,0.00208037,0.00237509,0.004692874],"category_scores_gemma":[0.004883044,0.0005154644,0.0009404441,0.00208388,0.001602997,0.001432183,0.001864151,0.001916348,0.0008948181],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001540956,"about_ca_system_score_gemma":0.001622482,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006880564,"about_ca_topic_score_gemma":0.004221745,"domain_scores_codex":[0.9980503,0.001082488,0.00006786782,0.00007791837,0.0006117065,0.0001098337],"domain_scores_gemma":[0.9975966,0.001593218,0.0001056562,0.0002318855,0.0003786082,0.0000940622],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00002700475,0.0000454838,0.0003200845,0.000404653,0.00005637697,0.0001769345,0.0001067023,0.2729264,0.0004736706,0.7070314,0.004515016,0.01391637],"study_design_scores_gemma":[0.00002253263,0.00001982565,0.0001159978,0.00008983608,0.00001216866,0.00002469729,0.00002265407,0.7357636,0.0002387181,0.2593946,0.004269954,0.00002530654],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.04541937,0.01933784,0.8711104,0.006252719,0.001251645,0.0003444465,0.001001624,0.0007882982,0.05449372],"genre_scores_gemma":[0.7268502,0.01055436,0.2383773,0.001231965,0.0007012039,0.001703504,0.001108691,0.0004632708,0.01900949],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.006880564,"threshold_uncertainty_score":0.01593679,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006266870151159637,"score_gpt":0.2504704089804813,"score_spread":0.2442035388293217,"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."}}