{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.003863415,0.002915064,0.001443496,0.005871437,0.00183434,0.004396304,0.003243769,0.002625068,0.1228123],"category_scores_gemma":[0.03236844,0.001181997,0.002044779,0.005571771,0.000893012,0.006477434,0.002802623,0.004285654,0.1094022],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001991965,"about_ca_system_score_gemma":0.003076648,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005130739,"about_ca_topic_score_gemma":0.004654286,"domain_scores_codex":[0.9963889,0.0004069278,0.0002254363,0.0005043737,0.002141687,0.0003326796],"domain_scores_gemma":[0.9887135,0.003204184,0.0003532388,0.002778328,0.004714875,0.0002358177],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.000302992,0.0001705503,0.003235202,0.0007395669,0.00007925315,0.0007423064,0.0005584551,0.01187092,0.01079237,0.07436585,0.3633975,0.5337451],"study_design_scores_gemma":[0.000161922,0.0001250818,0.004979866,0.0004475966,0.00007492505,0.001066406,0.001085013,0.2982816,0.06341697,0.1569984,0.4730496,0.0003125705],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.006348103,0.0003475829,0.8787247,0.001542848,0.000917233,0.0002733359,0.02363029,0.05353989,0.03467607],"genre_scores_gemma":[0.1010229,0.0009811396,0.7857248,0.0007485456,0.0004279954,0.0013013,0.04107607,0.03314445,0.03557283],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.1228123,"threshold_uncertainty_score":0.4108482,"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."}}