{"paper":{"title":"A quantum reactive scattering perspective on electronic nonadiabaticity","license":"http://creativecommons.org/licenses/by-nc-sa/3.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Heiko Appel, Luca M. Ghiringhelli, Yang Peng","submitted_at":"2014-03-13T14:01:09Z","abstract_excerpt":"Based on quantum reactive-scattering theory, we propose a method for studying the electronic nonadiabaticity in collision processes involving electron-ion rearrangements. We investigate the state-to-state transition probability for electron-ion rearrangements with two comparable approaches. In the first approach the information of the electron is only contained in the ground-state Born-Oppenheimer potential-energy surface, which is the starting point of common reactive-scattering calculations. In the second approach, the electron is explicitly taken into account and included in the calculation"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1403.3267","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}