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Hybrid QPE-Ansatz Strategy for Reliable Excited-State Variational Quantum Deflation

Quantum Physics 2026-03-31 v1 Chemical Physics

Abstract

We introduce a spin zz-component (SzS_{z}) conserving symmetry-preserving ansatz and a shallow quantum phase estimation (QPE) routine of spin xx (SxS_x), and combine them into a spin-filtering variational quantum deflation (sfVQD) scheme for noisy intermediate-scale quantum (NISQ) computing era excited state calculations. The scheme encodes the spin information into a small ancilla register through controlled rotations under exp(iθS^x)\mathrm{exp} (i\theta\hat{S}_{x}) with only modest circuit overhead. The encoded information is then utilized to suppress spin contamination by screening, avoiding costly explicit evaluation on the total spin S^2\langle\hat{S}^{2}\rangle. Because the screening module operates independently of the variational ansatz, it can also be employed with other excited-state calculation schemes based on variational quantum eigensolvers. As a demonstration, we apply sfVQD to LiH and BeH2_2 with varying geometries to show markedly improved separation of singlet and triplet manifolds over conventional VQD without QPE-derived screening. These results suggest that ancilla-assisted symmetry screening provides a modular and NISQ-compatible route to securing excited state calculations of physically meaningful properties. We discuss how our scheme may naturally be extended to computing other conserved quantities.

Keywords

Cite

@article{arxiv.2603.27978,
  title  = {Hybrid QPE-Ansatz Strategy for Reliable Excited-State Variational Quantum Deflation},
  author = {Young Kyun Ahn and Young Min Rhee},
  journal= {arXiv preprint arXiv:2603.27978},
  year   = {2026}
}

Comments

11 pages, 8 figures, 1 table