{"paper":{"title":"Quantum algorithms for electronic structure calculations: particle/hole Hamiltonian and optimized wavefunction expansions","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"quant-ph","authors_text":"Andreas Fuhrer, Antonio Mezzacapo, Daniel J. Egger, Gian Salis, Igor Sokolov, Ivano Tavernelli, Jerome F. Gonthier, Marc Ganzhorn, Matthias Troyer, Nikolaj Moll, Panagiotis Kl. Barkoutsos, Stefan Filipp","submitted_at":"2018-05-11T11:45:23Z","abstract_excerpt":"In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework into the particle-hole (p/h) picture, which offers a better starting point for the expansion of the trial wavefunction. The state of the molecular system at study is parametrized in a way to efficiently explore the sector of the molecular Fock space that contains the desired solution. To this end, we explore several trial wavefunctions to identify the most "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1805.04340","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"}