{"id":"W4416086310","doi":"10.1063/5.0295912","title":"Rigorous quantum calculations for atom–molecule chemical reactions in electric fields: From single to multiple partial wave regimes","year":2025,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada; National Science Foundation","keywords":"Electric field; Chemical reaction; Wave function; Basis set; Scattering; Ab initio; Field (mathematics); Quantum chemical; Quantum; Potential energy","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":[0.002099838,0.001015992,0.001401567,0.001442037,0.00133675,0.001319133,0.002469586,0.001542142,0.003905235],"category_scores_gemma":[0.002901026,0.0005373734,0.001283794,0.0012058,0.001611307,0.001706851,0.001811915,0.001947001,0.001072512],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001140799,"about_ca_system_score_gemma":0.001869314,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003548683,"about_ca_topic_score_gemma":0.00390803,"domain_scores_codex":[0.9991739,0.000276209,0.00002737357,0.00002653641,0.0004004524,0.00009539603],"domain_scores_gemma":[0.99873,0.0005175428,0.0001104368,0.0003017879,0.0002543998,0.00008579622],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0000343658,0.00009471534,0.0003091197,0.0001212914,0.00005561823,0.000143628,0.00008053441,0.766953,0.002366131,0.2163301,0.0008752066,0.01263634],"study_design_scores_gemma":[0.00001354451,0.00001042236,0.00004980208,0.000005585982,0.000003651124,0.000008749958,0.000008308759,0.9782296,0.0003007463,0.02092415,0.0004375962,0.000007913006],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.09203747,0.000457258,0.8801537,0.000547629,0.0001083923,0.0001714951,0.0002700741,0.0005784766,0.02567559],"genre_scores_gemma":[0.6565431,0.001047703,0.329082,0.0004805944,0.0001994956,0.0010204,0.0006831952,0.0009072929,0.01003635],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.003905235,"threshold_uncertainty_score":0.01306432,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01881455964988937,"score_gpt":0.2730848281340608,"score_spread":0.2542702684841714,"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."}}