Published April 17, 2020 | Version v1
Journal article Open

Efficient two-electron ansatz for benchmarking quantum chemistry on a quantum computer

  • 1. University of Chicago

Description

Quantum chemistry provides key applications for near-term quantum computing, but these are greatly complicated by the presence of noise. In this work we present an efficient ansatz for the computation of two-electron atoms and molecules within a hybrid quantum-classical algorithm. The ansatz exploits the fundamental structure of the two-electron system, and treating the nonlocal and local degrees of freedom on the quantum and classical computers, respectively. Here the nonlocal degrees of freedom scale linearly with respect to basis-set size, giving a linear ansatz with only $\mathcal{O}(1)$ circuit preparations required for reduced state tomography. We implement this benchmark with error mitigation on two publicly available quantum computers, calculating accurate dissociation curves for 4- and 6- qubit calculations of ${\rm H}_\textrm{2}^{}$ and ${\rm H}_\textrm{3}^+$.

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PhysRevResearch.2.023048.pdf

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Additional details

Identifiers

DOI
10.1103/physrevresearch.2.023048
Other
oai:uchicago.tind.io:11672

Funding

National Science Foundation
CHE-1565638
U.S. Department of Energy
DE-SC0019215
Army Research Office
W911NF-16-1-0152

UChicago Information

Division(s)
Physical Sciences Division
Department(s)
Chemistry
Center(s) or Institute(s)
James Franck Institute