{"paper":{"title":"Fundamental Relation between Conductance of Biomolecules and the Fukui Function","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mes-hall","cond-mat.mtrl-sci","physics.bio-ph","q-bio.BM"],"primary_cat":"cond-mat.soft","authors_text":"Gabor Vattay","submitted_at":"2026-07-14T22:23:34Z","abstract_excerpt":"The finite-temperature conductance of a molecule coupled to metallic leads is derived entirely within the framework of density functional theory (DFT) and its time-dependent extension for open quantum systems. Starting from the Mermin grand potential, the foundational Kohn-Sham equations, the Fukui function, and the open-system master equation for the single-particle density matrix are systematically formulated. The non-equilibrium electron-phonon dissipator is obtained from the partial trace over the phonon bath. By applying Wick's theorem for non-interacting fermions, a fully exchange-symmet"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2607.13309","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/2607.13309/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"}