{"id":"W2075336952","doi":"10.1063/1.1834512","title":"Polarizabilities and hyperpolarizabilities for the atoms Al, Si, P, S, Cl, and Ar: Coupled cluster calculations","year":2005,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":59,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of New Brunswick","funders":"","keywords":"Hyperpolarizability; Polarizability; Dipole; Coupled cluster; Chemistry; Perturbation theory (quantum mechanics); Ab initio quantum chemistry methods; Atomic physics; Argon; Anisotropy; Ab initio; Cluster (spacecraft); Molecular physics; Physics; Molecule; Optics; Quantum mechanics","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":[0.0001984517,0.000185556,0.0002964283,0.000009639648,0.0002400648,0.00004229256,0.0001956753,0.0000294096,0.000007469826],"category_scores_gemma":[0.00004799494,0.0001048856,0.0001365637,0.00006887832,0.0006285572,0.0002544766,0.0001355021,0.0003350658,8.800768e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000321353,"about_ca_system_score_gemma":0.00003041203,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001391979,"about_ca_topic_score_gemma":4.747662e-7,"domain_scores_codex":[0.9990934,0.00002766875,0.0003443348,0.0001164442,0.0001892539,0.0002289211],"domain_scores_gemma":[0.9973907,0.0019265,0.0002233346,0.0002001337,0.0001874139,0.00007189993],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0009437053,0.0009643862,0.008280602,0.0002252831,0.002285915,3.031963e-7,0.01285798,0.004066498,0.7734714,0.1482675,0.01360577,0.03503061],"study_design_scores_gemma":[0.002262777,0.0001155564,0.0002072169,0.00007222787,0.0006524302,0.00001215505,0.003037915,0.01471846,0.1156513,0.8468819,0.01591305,0.0004749329],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9623746,0.001349928,0.02798553,0.007631048,0.00006622756,0.0002942416,0.0000501182,0.00001159599,0.0002367358],"genre_scores_gemma":[0.9968087,0.00003168669,0.001366028,0.0004842211,0.001204057,0.00001011918,0.000004199475,0.00002235552,0.00006863863],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.6986144,"threshold_uncertainty_score":0.4277112,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0115494277439579,"score_gpt":0.2549128276866074,"score_spread":0.2433633999426495,"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."}}