{"id":"W2750329936","doi":"10.1063/1.4985874","title":"Orbital angular momentum eigenfunctions for fast and numerically stable evaluations of closed-form pseudopotential matrix elements","year":2017,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Atomic and Molecular Physics","field":"Physics and Astronomy","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Defence Research and Development Canada","funders":"","keywords":"Angular momentum; Pseudopotential; Physics; Total angular momentum quantum number; Azimuthal quantum number; Gaussian; Angular momentum coupling; Eigenvalues and eigenvectors; Quantum mechanics; Eigenfunction; Mathematical analysis; 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":[0.001883167,0.001099242,0.0008233869,0.001479423,0.001452552,0.002019581,0.001782795,0.001032888,0.02099821],"category_scores_gemma":[0.00759218,0.000680891,0.0007225657,0.001621646,0.0008908992,0.002656271,0.001417949,0.001739205,0.007560464],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001189151,"about_ca_system_score_gemma":0.002425026,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003518856,"about_ca_topic_score_gemma":0.008360284,"domain_scores_codex":[0.9992743,0.0001873392,0.00005019129,0.00003509134,0.0003571612,0.00009601232],"domain_scores_gemma":[0.9975036,0.00124088,0.0001355615,0.0004104502,0.0005637789,0.0001457527],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0004774368,0.0004004094,0.002569978,0.0006201345,0.0001096956,0.000980729,0.0009403391,0.2250719,0.0208786,0.5271657,0.01599974,0.2047852],"study_design_scores_gemma":[0.0000617597,0.00002849639,0.0003464913,0.00007154779,0.000008883779,0.00008366844,0.0001457065,0.9112186,0.004999641,0.07861096,0.004391757,0.00003240274],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.0429014,0.0002024598,0.9333778,0.0002780912,0.000122332,0.000187304,0.0003122343,0.003073486,0.01954482],"genre_scores_gemma":[0.3599845,0.0003038734,0.6242845,0.0001696322,0.00008039604,0.0007157431,0.0006939477,0.002928712,0.01083874],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.02099821,"threshold_uncertainty_score":0.07024598,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01275340238203479,"score_gpt":0.2979606491518028,"score_spread":0.285207246769768,"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."}}