English

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

Quantum Physics 2020-04-23 v1

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 O(1)\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 H2{\rm H}_\textrm{2}^{} and H3+{\rm H}_\textrm{3}^+.

Keywords

Cite

@article{arxiv.2004.10344,
  title  = {Efficient Two-Electron Ansatz for Benchmarking Quantum Chemistry on a Quantum Computer},
  author = {Scott E. Smart and David A. Mazziotti},
  journal= {arXiv preprint arXiv:2004.10344},
  year   = {2020}
}
R2 v1 2026-06-23T15:00:57.038Z