AGP-based unitary coupled cluster theory for quantum computers

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dc.citation.articleNumber015006
dc.citation.issueNumber1
dc.citation.journalTitleQuantum Science and Technology
dc.citation.volumeNumber8
dc.contributor.authorKhamoshi, Armin
dc.contributor.authorChen, Guo P.
dc.contributor.authorEvangelista, Francesco A.
dc.contributor.authorScuseria, Gustavo E.
dc.date.accessioned2022-12-16T21:03:23Z
dc.date.available2022-12-16T21:03:23Z
dc.date.issued2022
dc.description.abstractElectronic structure methods typically benefit from symmetry breaking and restoration, specially in the strong correlation regime. The same goes for ansätze on a quantum computer. We develop a unitary coupled cluster method based on the antisymmetrized geminal power (AGP)—a state formally equivalent to the number-projected Bardeen–Cooper–Schrieffer wavefunction. We demonstrate our method for the single-band Fermi–Hubbard Hamiltonian in one and two dimensions. We also explore post-selection as a state preparation step to obtain correlated AGP and prove that it scales no worse than O(√M) in the number of measurements, thereby making it a less expensive alternative to gauge integration to restore particle number symmetry.
dc.identifier.citationKhamoshi, Armin, Chen, Guo P., Evangelista, Francesco A., et al.. "AGP-based unitary coupled cluster theory for quantum computers." <i>Quantum Science and Technology,</i> 8, no. 1 (2022) IOP Publishing: https://doi.org/10.1088/2058-9565/ac93ae.
dc.identifier.doihttps://doi.org/10.1088/2058-9565/ac93ae
dc.identifier.urihttps://hdl.handle.net/1911/114150
dc.language.isoeng
dc.publisherIOP Publishing
dc.rightsThis is an author's post-print. The published article is copyrighted by IOP Publishing
dc.titleAGP-based unitary coupled cluster theory for quantum computers
dc.typeJournal article
dc.type.dcmiText
dc.type.publicationpost-print
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