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Quantum Chemistry

State preparation and symmetries

arXiv
Authors: Ivana Miháliková, Joseph Carlson, Duff Neill, Ionel Stetcu

Year

2025

Paper ID

51660

Status

Preprint

Abstract Read

~2 min

Abstract Words

153

Citations

N/A

Abstract

We demonstrate the importance of symmetries in Variational Quantum Eigensolver (VQE) algorithms to prepare the ground or specific low-lying states of quantum Hamiltonians. We examine two spin problems, one with random all-to-all couplings inspired by neutrino flavor evolution in supernovae, and the standard Heisenberg spin Hamiltonian on a 4 times 3 lattice. The neutrino Hamiltonian has the total spin J and third component J_{rm{z}} as its only symmetries. The Heisenberg model has these symmetries plus translational invariance and reflection symmetry. We demonstrate that the convergence of variational methods is dramatically improved by keeping all symmetries. In both cases a nearly exact solution can be obtained in cases where standard unconstrained variational algorithms fail. Since variational algorithms can use standard Trotter steps as part of the optimization, allowing additional correlations that obey all the symmetries of the Hamiltonian will speed convergence of variational algorithms. This will lead to faster convergence than standard projection algorithms.

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  • This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
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  • We demonstrate the importance of symmetries in Variational Quantum Eigensolver (VQE) algorithms to prepare the ground or specific low-lying states of quantum Hamiltonians.

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