{"paper":{"title":"Next-Generation Quantum Theory of Atoms in Molecules for the Ground and Excited States of Fulvene","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Alireza Azizi, Michael Filatov, Roya Momen, Samantha Jenkins, Steven R. Kirk, Tianlv Xu, Wei Jie Huang","submitted_at":"2018-04-03T01:28:49Z","abstract_excerpt":"A vector-based representation of the chemical bond is introduced that we refer to as the bond-path frame-work set = $\\mathbb{B} = \\{p, q, r\\}$, where $p$, $q$ and $r$ represent three paths with corresponding eigenvector-following path lengths $\\mathbb{H}^{*},\\mathbb{H}$ and the familiar quantum theory of atoms in molecules (QTAIM) bond-path length. The eigenvector-following path lengths $\\mathbb{H}^{*}$ and $\\mathbb{H}$ are constructed along the bond-path from the $\\underline{\\mathbf{\\mathit{e}}}_{1}$ and $\\underline{\\mathbf{\\mathit{e}}}_{2}$ Hessian eigenvectors respectively, which correspond"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1804.00776","kind":"arxiv","version":2},"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"}