{"paper":{"title":"Analysis of Electron Correlation Effects in Strongly Correlated Systems ($\\rm N_2$ and $\\rm N_2^+$) by applying DMRG and Quantum Information Theory","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Beate Paulus, Christian Stemmle, \\\"Ors Legeza","submitted_at":"2017-11-21T10:32:04Z","abstract_excerpt":"The dissociation of $\\rm N_2$ and $\\rm N_2^+$ has been studied by using the \\emph{ab initio} Density Matrix Renormalization Group (DMRG) method. Accurate Potential Energy Surfaces (PES) have been obtained for the electronic ground states of $\\rm N_2$ ($\\rm X^1\\Sigma_g^+$) and $\\rm N_2^+$ ($\\rm X^2\\Sigma_g^+$) as well as for the $\\rm N_2^+$ excited state $\\rm B^2\\Sigma_u^+$. Inherently to the DMRG approach, the eigenvalues of the reduced density matrix ($\\rho$) and their correlation functions are at hand. Thus we can apply Quantum Information Theory (QIT) directly, and investigate how the wave "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1711.07701","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"}