{"paper":{"title":"An Efficient Matrix Product Operator Representation of the Quantum-Chemical Hamiltonian","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.str-el","physics.chem-ph"],"primary_cat":"physics.comp-ph","authors_text":"Markus Reiher, Matthias Troyer, Michele Dolfi, Sebastian Keller","submitted_at":"2015-10-07T16:53:29Z","abstract_excerpt":"We describe how to efficiently construct the quantum chemical Hamiltonian operator in matrix product form. We present its implementation as a density matrix renormalization group (DMRG) algorithm for quantum chemical applications in a purely matrix product based framework. Existing implementations of DMRG for quantum chemistry are based on the traditional formulation of the method, which was developed from a viewpoint of Hilbert space decimation and attained a higher performance compared to straightforward implementations of matrix product based DMRG. The latter variationally optimizes a class"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1510.02026","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"}