{"paper":{"title":"Sub-picosecond molecular dynamics modulate the energies of spin states for hundreds of nanoseconds","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mes-hall","authors_text":"Alejandro Gaita-Ari\\~no, I\\~naki Tu\\~n\\'on, Kirill Zinovjev, Lorena E. Rosaleny","submitted_at":"2018-08-09T16:57:35Z","abstract_excerpt":"Molecular vibrations are increasingly seen as a key factor for spin dynamics in single-ion magnets and molecular spin qubits. Herein we show how an inexpensive combination of molecular dynamics calculations and a crystal field analysis can be employed to obtain a dynamical picture of the crystal field splitting. We present the time evolution during 500ns of the spin energy levels in a terbium complex. Our calculations evidence an amplitude of up to tens of cm-1 for the oscillations of the spin energy levels in the fs time scale. Crucially, we also see that the oscillations average out and prac"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1808.03234","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"}