{"id":"W1746841536","doi":"10.1016/j.jms.2011.03.030","title":"A DPF data analysis yields accurate analytic potentials for <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si34.gif\" overflow=\"scroll\"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Li</mml:mtext></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub><mml:mrow><mml:mfenced open=\"(\" close=\")\"><mml:mrow><mml:mi>a</mml:mi><mml:msup><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msup><mml:msubsup><mml:mrow><mml:mi mathvariant=\"normal\">Σ</mml:mi></mml:mrow><mml:mrow><mml:mi>u</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msubsup></mml:mrow></mml:mfenced></mml:mrow></mml:mrow></mml:math> and <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si35.gif\" overflow=\"scroll\"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Li</mml:mtext></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub><mml:mrow><mml:mfenced open=\"(\" close=\")\"><mml:mrow><mml:mn>1</mml:mn><mml:msup><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msup><mml:msubsup><mml:mrow><mml:mi mathvariant=\"normal\">Σ</mml:mi></mml:mrow><mml:mrow><mml:mi>g</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msubsup></mml:mrow></mml:mfenced></mml:mrow></mml:mrow></mml:math> that incorporate 3-state mixing near the <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si36.gif\" overflow=\"scroll\"><mml:mrow><mml:mn>1</mml:mn><mml:msup><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msup><mml:msubsup><mml:mrow><mml:mi mathvariant=\"normal\">Σ</mml:mi></mml:mrow><mml:mrow><mml:mi>g</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msubsup></mml:mrow></mml:math> state asymptote","year":2011,"lang":"lv","type":"article","venue":"Journal of Molecular Spectroscopy","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":37,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Waterloo","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Asymptote; Physics; Energy (signal processing); Range (aeronautics); Potential energy; State (computer science); Function (biology); Algorithm; Computer science; Atomic physics; Materials science; Mathematical analysis; Mathematics; 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":["metaresearch","metaepi_narrow","metaepi_broad","sts","scholarly_communication","open_science","research_integrity","insufficient_payload"],"consensus_categories":["metaepi_narrow","sts","scholarly_communication","open_science","research_integrity","insufficient_payload"],"category_scores_codex":[0.01619083,0.008454316,0.003112616,0.006753827,0.01318954,0.01690637,0.02322397,0.01911932,0.9738548],"category_scores_gemma":[0.01439555,0.01845906,0.01750862,0.0129053,0.01680123,0.01588185,0.0214925,0.01622786,0.01267125],"about_ca_system_candidate":true,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002247231,"about_ca_system_score_gemma":0.01831281,"about_ca_topic_candidate":true,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01708113,"about_ca_topic_score_gemma":0.01562001,"domain_scores_codex":[0.9250579,0.005691327,0.01530647,0.01441987,0.01932402,0.02020044],"domain_scores_gemma":[0.9360259,0.01255514,0.02015615,0.0175673,0.002239203,0.01145629],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.01584999,0.002678889,0.00009391028,0.006775849,0.01890142,0.01558865,0.007349533,0.01075549,0.01253792,0.1953555,0.7083796,0.005733334],"study_design_scores_gemma":[0.0142627,0.01042464,0.0004055668,0.008193972,0.01716861,0.01507132,0.01133295,0.03289472,0.8576395,0.0004043596,0.01722435,0.01497733],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.1831305,0.00828672,0.004922724,0.003480882,0.01479394,0.0003666405,0.004912821,0.001805242,0.7783005],"genre_scores_gemma":[0.9093997,0.01292623,0.0115156,0.008851895,0.01373677,0.01390173,0.01694926,0.009932479,0.002786339],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.9611835,"threshold_uncertainty_score":0.9978825,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02179184052373521,"score_gpt":0.2553757996508326,"score_spread":0.2335839591270974,"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."}}