{"id":"W1998138012","doi":"10.1002/qua.20444","title":"Moments of the electron momentum density: Requirements for ab initio and density functional theory calculations","year":2005,"lang":"en","type":"article","venue":"International Journal of Quantum Chemistry","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":36,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of New Brunswick","funders":"Tehran University of Medical Sciences and Health Services","keywords":"Coupled cluster; Electronic correlation; Density functional theory; Ab initio; Perturbation theory (quantum mechanics); Gaussian; Basis (linear algebra); Electron; Physics; Quantum mechanics; Atomic physics; Statistical physics; Computational chemistry; Chemistry; Molecule; Mathematics","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":[0.002927064,0.0008243663,0.00143776,0.002177609,0.001503282,0.001410784,0.00249822,0.001412402,0.01097732],"category_scores_gemma":[0.02508752,0.0007645564,0.001032332,0.001798537,0.0006621769,0.001851124,0.001123071,0.001248387,0.003507313],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008693119,"about_ca_system_score_gemma":0.002066133,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003227481,"about_ca_topic_score_gemma":0.002473718,"domain_scores_codex":[0.9972581,0.0006357743,0.0001741934,0.00008488222,0.001624798,0.00022229],"domain_scores_gemma":[0.9852194,0.009890805,0.0005086914,0.001871842,0.002249833,0.0002595041],"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":[0.0007206691,0.0003602509,0.005479161,0.00122589,0.00008135418,0.0009794288,0.0005012879,0.5395914,0.0185804,0.3008428,0.01718508,0.1144523],"study_design_scores_gemma":[0.0001513177,0.0001059126,0.002562848,0.0002242588,0.00003402378,0.0003013648,0.0002264455,0.8977608,0.01272853,0.07761154,0.00821593,0.0000770484],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2891956,0.002257949,0.6109775,0.003348035,0.0005110356,0.0009742348,0.009560426,0.008177715,0.07499747],"genre_scores_gemma":[0.7363346,0.000858359,0.2506731,0.0001842111,0.0001795565,0.001426873,0.005266779,0.001498896,0.003577549],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01097732,"threshold_uncertainty_score":0.03672284,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01787029043387174,"score_gpt":0.2886112432271454,"score_spread":0.2707409527932737,"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."}}