{"id":"W3138509169","doi":"10.1063/5.0046425","title":"A rectangular collocation multi-configuration time-dependent Hartree (MCTDH) approach with time-independent points for calculations on general potential energy surfaces","year":2021,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Hartree; Collocation (remote sensing); Basis function; Basis (linear algebra); Function (biology); Applied mathematics; Mathematical optimization; Mathematics; Computer science; Mathematical analysis; Quantum mechanics; Physics; Geometry","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":[0.0005643688,0.0005259151,0.000633292,0.0004810413,0.0007505464,0.0006613794,0.002212919,0.001293684,0.005856098],"category_scores_gemma":[0.001292044,0.0004775433,0.0006084554,0.0009199617,0.0006099708,0.001027261,0.001094237,0.001401642,0.002016681],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005315249,"about_ca_system_score_gemma":0.001027509,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002921689,"about_ca_topic_score_gemma":0.003408393,"domain_scores_codex":[0.9997297,0.00008838785,0.00001300462,0.00003138788,0.0001076652,0.00002986875],"domain_scores_gemma":[0.9994727,0.0001665965,0.00002807216,0.0001672739,0.0001233299,0.00004209596],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001582574,0.0001138366,0.001210009,0.000588283,0.00009538668,0.0006378213,0.0003108767,0.6137081,0.03143723,0.2462144,0.01076426,0.09476159],"study_design_scores_gemma":[0.00002936291,0.00003599338,0.0001460153,0.00002837625,0.00001102939,0.00009040299,0.00002920069,0.9686292,0.003535741,0.01809429,0.009342447,0.00002799892],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.009896902,0.0005546545,0.9822986,0.000191177,0.000122328,0.00007423417,0.0001901613,0.0006952123,0.005976738],"genre_scores_gemma":[0.158561,0.0007640705,0.8351393,0.0002671074,0.0000565009,0.0004396534,0.0003535046,0.0006157671,0.003803169],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.005856098,"threshold_uncertainty_score":0.01959062,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01069372485241256,"score_gpt":0.2350570715885651,"score_spread":0.2243633467361526,"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."}}