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arXiv · 2004.10344

Efficient Two-Electron Ansatz for Benchmarking Quantum Chemistry on a Quantum Computer

Scott E. Smart·David A. Mazziotti
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Abstract

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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Scott E. Smart, David A. Mazziotti. 2020-04-21. Efficient Two-Electron Ansatz for Benchmarking Quantum Chemistry on a Quantum Computer. https://doi.org/10.1103/physrevresearch.2.023048

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