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arxiv: 2007.09806 · v1 · pith:POJD2RJY · submitted 2020-07-19 · physics.comp-ph · physics.chem-ph· quant-ph

Limitations of Hartree-Fock with quantum resources

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classification physics.comp-ph physics.chem-phquant-ph
keywords quantumhartree-fockchemistryproblemcomputationalalgorithmscandidatecharacterization
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The Hartree-Fock problem provides the conceptual and mathematical underpinning of a large portion of quantum chemistry. As efforts in quantum technology aim to enhance computational chemistry algorithms, the fundamental Hartree-Fock problem is a natural target. While quantum computers and quantum simulation offer many prospects for the future of modern chemistry, the Hartree-Fock problem is not a likely candidate. We highlight this fact from a number of perspectives including computational complexity, practical examples, and the full characterization of the energy landscapes for simple systems.

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