{"paper":{"title":"Efficient reconstruction of CASCI-type wave functions for a DMRG state using quantum information theory and genetic algorithm","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"cond-mat.str-el","authors_text":"Chungen Liu, Haibo Ma, Yingjin Ma, Zhen Luo","submitted_at":"2017-04-28T06:19:33Z","abstract_excerpt":"We improve the methodology to construct a complete active space-configuration interaction (CAS-CI) expansion for density-matrix renormalization group (DMRG) wave function using matrix-product state representation, inspired by the sampling-reconstructed CAS [SR-CAS, Boguslawski et al, J. Chem. Phys. 2011, 134, 224101] algorithm. In our scheme, a genetic algorithm, in which the \"crossover\" and \"mutation\" process can be optimized based on quantum information theory, is employed when reconstructing the CASCI-type wave function in the Hilbert space. Test analysis results for the ground and excited "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1704.08817","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"}