{"paper":{"title":"First-principles investigation of hyperfine interactions for nuclear spin entanglement in photo-excited fullerenes","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"quant-ph","authors_text":"Davide Ceresoli, Feliciano Giustino, John J. L. Morton, Vasileia Filidou","submitted_at":"2012-01-27T18:00:09Z","abstract_excerpt":"The study of hyperfine interactions in optically excited fullerenes has recently acquired importance within the context of nuclear spin entanglement for quantum information technology. We here report a first-principles pseudopotential study of the hyperfine coupling parameters of optically excited fullerene derivatives as well as small organic radicals. The calculations are performed within the gauge-invariant projector-augmented wave method [C. Pickard and F. Mauri, Phys. Rev. B. 63, 245101 (2001)]. In order to establish the accuracy of this methodology we compare our results with all-electro"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1201.5849","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"}