{"id":"W2022585515","doi":"10.1063/1.2735301","title":"Development of a sum-over-states density functional theory for both electric and magnetic static response properties","year":2007,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":20,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Density functional theory; Excited state; Adiabatic process; Time-dependent density functional theory; Perturbation theory (quantum mechanics); Physics; Quantum mechanics; Ground state; Quantum electrodynamics","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":[],"consensus_categories":[],"category_scores_codex":[0.0008117344,0.0001105884,0.0002199679,0.00001768101,0.00008104253,0.000008215074,0.00009213423,0.00001811441,0.00001274683],"category_scores_gemma":[0.00004118294,0.00006654719,0.00007183439,0.00009053818,0.0001233784,0.00005046777,0.00003764767,0.0001507557,4.066615e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003710337,"about_ca_system_score_gemma":0.00007312943,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002530028,"about_ca_topic_score_gemma":1.825883e-7,"domain_scores_codex":[0.9991882,0.00003598505,0.0003399433,0.00006680858,0.0001843331,0.0001847055],"domain_scores_gemma":[0.9987296,0.0008118608,0.0002232716,0.00006306378,0.000122169,0.00005000561],"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":[0.004611166,0.0001422159,0.0003814449,0.00002961765,0.0001257071,2.088333e-7,0.0009829915,0.000005482682,0.9857554,0.002144638,0.0002075209,0.005613619],"study_design_scores_gemma":[0.0005552876,0.0001231812,0.001586777,0.00003368664,0.0000869839,0.000002426596,0.0003974644,0.00008916959,0.9397651,0.05710318,0.0001708069,0.00008596625],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9729738,0.0003722158,0.02642835,0.00007053567,0.00002639514,0.00008913209,0.000003621635,0.000003095802,0.0000328982],"genre_scores_gemma":[0.9983723,0.000007536709,0.001386622,0.00003935058,0.0001599564,0.000002159156,0.000001582352,0.000008759444,0.00002174091],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05495854,"threshold_uncertainty_score":0.2713716,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01583718394050811,"score_gpt":0.2435334700508768,"score_spread":0.2276962861103687,"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."}}