{"id":"W1999391615","doi":"10.1002/(sici)1097-461x(2000)78:5<348::aid-qua6>3.0.co;2-3","title":"Visualization of electronic and vibrational polarizabilities and hyperpolarizabilities","year":2000,"lang":"en","type":"article","venue":"International Journal of Quantum Chemistry","topic":"Nonlinear Optical Materials Research","field":"Materials Science","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Hyperpolarizability; Polarizability; Chemistry; Similarity (geometry); Computational chemistry; Electronic structure; Nonlinear optical; Molecule; Molecular physics; Quantum mechanics; Nonlinear system; Physics; Computer science; Organic chemistry; Image (mathematics)","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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0004491884,0.00008355151,0.0001694515,0.00004343503,0.00003054917,0.00009571674,0.0002047043,0.00005879322,0.002522269],"category_scores_gemma":[0.0002287025,0.00007288514,0.00003437598,0.00003756105,0.0002845511,0.0002943749,0.00004977722,0.00009560231,0.000003795573],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004634248,"about_ca_system_score_gemma":0.0001549953,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002199419,"about_ca_topic_score_gemma":4.857416e-7,"domain_scores_codex":[0.9987726,0.00004704767,0.0004374615,0.0001153579,0.00049005,0.0001374894],"domain_scores_gemma":[0.9991585,0.0001724529,0.0001507529,0.00006821678,0.0003841833,0.0000658651],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002035058,0.00006256074,0.001281094,0.00006089086,0.00002213585,0.000003576238,0.0001402927,0.00001683924,0.9918441,0.005960714,0.00001261945,0.0003916758],"study_design_scores_gemma":[0.0004610255,0.0001165675,0.001759588,0.00007482031,0.0000108696,0.0003011942,0.0001518123,0.001196854,0.9859753,0.009272309,0.000586879,0.00009278603],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9982011,0.0003782412,0.0004621418,0.0004697105,0.00008796011,0.0000319478,0.00004015187,0.000006567755,0.0003221556],"genre_scores_gemma":[0.9985915,0.000210137,0.0008292458,0.00003090006,0.0002149247,0.000001103038,0.000007123623,0.000008766257,0.0001063373],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005868801,"threshold_uncertainty_score":0.9983895,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009488639764749182,"score_gpt":0.2879582205853511,"score_spread":0.2784695808206019,"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."}}