{"id":"W2039185791","doi":"10.1063/1.481047","title":"Are properties derived from variance-optimized wave functions generally more accurate? Monte Carlo study of non-energy-related properties of H2, He, and LiH","year":2000,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":35,"is_retracted":false,"has_abstract":true,"ca_institutions":"Brock University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Variance (accounting); Monte Carlo method; Energy (signal processing); Metric (unit); Statistical physics; Wave function; Quality (philosophy); Yield (engineering); Computational physics; Mathematics; Physics; Thermodynamics; Statistics; Quantum mechanics","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":[0.00006855769,0.0002963333,0.0007829916,0.00001980098,0.0001039346,0.00001714936,0.0002813294,0.00004998147,0.00002951382],"category_scores_gemma":[0.00001303582,0.0001840627,0.0001822925,0.0001923913,0.0003619906,0.0002742305,0.0001334551,0.0003895801,9.194125e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002750747,"about_ca_system_score_gemma":0.00004338705,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002339959,"about_ca_topic_score_gemma":0.000001206801,"domain_scores_codex":[0.998432,0.00006813146,0.0007394215,0.0001847917,0.0003475969,0.0002280239],"domain_scores_gemma":[0.9981783,0.00008816207,0.0009205521,0.0003013689,0.00042827,0.00008335428],"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":[0.0009192514,0.001112755,0.0003222451,0.00002944383,0.001501238,0.000001543783,0.005394029,0.03648341,0.9515797,0.00001388512,0.0002023221,0.002440182],"study_design_scores_gemma":[0.00415002,0.0002254239,0.0003976137,0.000387672,0.000956149,0.000002563753,0.007007442,0.003933995,0.9729171,0.009607355,0.0000206201,0.0003940589],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9979616,0.0005356894,0.0008728543,0.0001352,0.00004796652,0.000189603,0.00002862876,0.000009686336,0.0002187281],"genre_scores_gemma":[0.9990579,0.00005150644,0.0003343452,0.00002613513,0.0003290268,0.00001194913,0.000003115931,0.00003409907,0.0001519416],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03254942,"threshold_uncertainty_score":0.7505857,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02182856595343334,"score_gpt":0.2206352068494719,"score_spread":0.1988066408960386,"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."}}