{"paper":{"title":"Ultrafast Internal Conversion in Ethylene I. The Excited State Lifetime","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.atom-ph"],"primary_cat":"physics.chem-ph","authors_text":"A. Belkacem, A. M. Stooke, C. Khurmi, H. Tao, J. van Tilborg, R. W. Falcone, T. J. Martinez, T. K. Allison, T. W. Wright, Y. Liu","submitted_at":"2011-06-05T23:57:51Z","abstract_excerpt":"Using a combined theoretical and experimental approach, we investigate the non-adiabatic dynamics of the prototypical ethylene (C2H4) molecule upon {\\pi} \\to {\\pi}* excitation. In this first part of a two part series, we focus on the lifetime of the excited electronic state. The femtosecond Time-Resolved Photoelectron Spectrum (TRPES) of ethylene is simulated based on our recent molecular dynamics simulation using the ab initio multiple spawning method (AIMS) with Multi-State Second Order Perturbation Theory (Tao, et al. J. Phys. Chem. A 113 13656 2009). We find excellent agreement between the"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1106.0939","kind":"arxiv","version":3},"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"}