{"id":"W1971577325","doi":"10.1063/1.1329893","title":"Improved algorithm for corner-cutting tunneling calculations","year":2001,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":156,"is_retracted":false,"has_abstract":true,"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"","keywords":"Quantum tunnelling; Curvature; Anharmonicity; Algorithm; Transfer (computing); Potential energy; Proton; Materials science; Geometry; Physics; Computer science; Atomic physics; Condensed matter physics; Mathematics; Quantum mechanics; Parallel computing","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006281608,0.0006579825,0.000909949,0.0006390592,0.0006991565,0.0007100638,0.002540702,0.001357334,0.01442472],"category_scores_gemma":[0.002300641,0.0004030003,0.000537229,0.001037973,0.0003065618,0.0008859007,0.001138452,0.001179729,0.004159505],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004959917,"about_ca_system_score_gemma":0.00121896,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00300433,"about_ca_topic_score_gemma":0.004305342,"domain_scores_codex":[0.9996732,0.00007755693,0.00001752567,0.00004185619,0.0001416664,0.00004815734],"domain_scores_gemma":[0.9992397,0.0002159168,0.00003568294,0.0001550257,0.0003028362,0.00005088235],"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":[0.0003380492,0.0001618318,0.0009544137,0.0003058051,0.00009815733,0.0003878671,0.0002241401,0.5103557,0.01803176,0.08386533,0.0146717,0.3706052],"study_design_scores_gemma":[0.00003965368,0.00001550466,0.0001009588,0.000007583411,0.000005367698,0.0000388246,0.00000949698,0.9864094,0.001400493,0.0091992,0.002760417,0.00001315466],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.007831322,0.00006365119,0.9866938,0.00005438874,0.00005423263,0.00006252445,0.0001389461,0.001767196,0.003334063],"genre_scores_gemma":[0.08662745,0.00006387517,0.90885,0.00006917072,0.00002070634,0.0003212889,0.0003223019,0.0007776452,0.002947614],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.01442472,"threshold_uncertainty_score":0.04825544,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01736588444248612,"score_gpt":0.2754614001944766,"score_spread":0.2580955157519905,"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."}}