{"paper":{"title":"Real-time simulation of charge migration within the time-dependent Kohn-Sham DFT","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Cl\\'ement Guiot du Doignon, Evan Munaro-Langlo\\\"ys, Franck Rabilloud, Rajarshi Sinha-Roy, Victor Despr\\'e","submitted_at":"2026-07-01T13:02:25Z","abstract_excerpt":"Attosecond technologies provide unique opportunities to study electron dynamics and electron correlation on their intrinsic timescales. From a theoretical perspective, this places strong constraints as an accurate treatment of electron correlation is required. Recently, it was demonstrated that time-dependent density-functional theory (TDDFT) is capable of correctly predicting correlation-driven charge migration arising from hole mixing following ionization of the highest occupied molecular orbital (HOMO). Given the ability of TDDFT to treat large-scale systems, this approach offers promising "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2607.00898","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2607.00898/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"}