{"paper":{"title":"Population Trap in X-ray-induced Ultrafast Nonadiabatic Dynamics of Tropone Probed at the O(1\\textit{s}) pre-edge","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.atm-clus","physics.atom-ph","physics.comp-ph"],"primary_cat":"physics.chem-ph","authors_text":"Kaoru Yamazaki, Katsumi Midorikawa","submitted_at":"2022-09-07T01:23:34Z","abstract_excerpt":"Nonadiabatic transition (NAT) drives a variety of x-ray-induced photochemistry and photophysics used in nature and various fields. To clarify the x-ray-induced NAT dynamics, we performed nonadiabatic molecular dynamics simulations on electronically excited tropone (Tr) dications created by the carbon $KLL$ normal Auger decay. The Tr$^{2+}$ undergoes the NAT cascade via 10-10$^2$ states with time constants of 200-400 fs. We observed population traps in the highly excited states in 100 fs during the NAT cascade. The fingerprint of this population trap can be extracted from C($1s$) edge pump O($1"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2209.02874","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2209.02874/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"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"}