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arXiv · 2007.09806

Limitations of Hartree-Fock with quantum resources

Sahil Gulania·James Daniel Whitfield
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Abstract

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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Sahil Gulania, James Daniel Whitfield. 2020-07-19. Limitations of Hartree-Fock with quantum resources. https://doi.org/10.1063/5.0018415

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