{"paper":{"title":"Dominant vibronic relaxation channels in a europium-based molecular qubit","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.other","quant-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Neil Iyer","submitted_at":"2026-05-18T18:49:24Z","abstract_excerpt":"Molecular spin qubits offer a versatile platform for quantum information processing due to their synthetic tunability and well-defined electronic structure. Here, a fitted-parameter-free computational framework combining density functional theory (DFT), time-dependent DFT (TD-DFT), and Redfield theory is applied to investigate the longitudinal spin-lattice relaxation time $T_1$ of the Eu nuclear spin qubit Eu(dpphen)(NO3)3. Using a single-molecule gas-phase model, the experimental long relaxation component $T_{1,\\mathrm{long}} = 41.39$ s is reproduced within a factor of 1.4 (calculated: 55.88 "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2605.21520","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/2605.21520/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"}