{"id":"W2168713863","doi":"10.1016/j.cpc.2008.06.005","title":"KANTBP 2.0: New version of a program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach","year":2008,"lang":"en","type":"article","venue":"Computer Physics Communications","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":39,"is_retracted":false,"has_abstract":false,"ca_institutions":"IBM (Canada)","funders":"","keywords":"Fortran; Mathematics; Boundary value problem; Mathematical analysis; Matrix (chemical analysis); Neumann boundary condition; Dirichlet boundary condition; Physics; Computer science","routes":{"ca_aff":true,"ca_fund":false,"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":[0.00006175413,0.0001597981,0.0002574539,0.00002577466,0.0004137583,0.00001803822,0.0003201836,0.0000307116,6.865579e-7],"category_scores_gemma":[0.000004599017,0.000143299,0.000111076,0.0003093344,0.0002348341,0.0001368779,0.0002753526,0.0002081698,0.000001000027],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003322948,"about_ca_system_score_gemma":0.00005270917,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001878604,"about_ca_topic_score_gemma":0.00000232205,"domain_scores_codex":[0.9991534,0.00006312676,0.0002611987,0.0002101293,0.0001162692,0.0001958892],"domain_scores_gemma":[0.9985416,0.0005234872,0.0001669641,0.0006189657,0.000100005,0.00004900397],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.000166031,0.01072291,0.003603333,0.0002114623,0.001068679,0.000001119803,0.02482405,0.04288361,0.0068082,0.467531,0.01204876,0.4301309],"study_design_scores_gemma":[0.001177295,0.0001184336,0.001403536,0.00003127922,0.000072078,0.000003568627,0.0008505845,0.9516823,0.00005980808,0.04244894,0.001907975,0.0002441437],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.02692855,0.0002436131,0.9707638,0.0002976035,0.00006407654,0.0005136764,0.00003454498,0.00004513857,0.001108969],"genre_scores_gemma":[0.8777412,0.00001706837,0.1215366,0.00002522938,0.0003374407,0.00008476766,0.0002106504,0.00001677685,0.00003025088],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.9087988,"threshold_uncertainty_score":0.5843564,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0567008866151379,"score_gpt":0.2837212023694019,"score_spread":0.227020315754264,"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."}}