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Quantum Algorithm for Low Energy Effective Hamiltonian and Quasi-Degenerate Eigenvalue Problem

arXiv
Authors: Chun-Tse Li, Tzen Ong, Chih-Yun Lin, Yu-Cheng Chen, Hsin Lin, Min-Hsiu Hsieh

Year

2025

Paper ID

51522

Status

Preprint

Abstract Read

~2 min

Abstract Words

185

Citations

N/A

Abstract

Quasi-degenerate eigenvalue problems are central to quantum chemistry and condensed-matter physics, where low-energy spectra often form manifolds of nearly degenerate states that determine physical properties. Standard quantum algorithms, such as phase estimation and QSVT-based eigenvalue filtering, work well when a unique ground state is separated by a moderate spectral gap, but in the quasi-degenerate regime they require resolution finer than the intra-manifold splitting; otherwise, they return an uncontrolled superposition within the low-energy span and fail to detect or resolve degeneracies. In this work, we propose a quantum algorithm that directly diagonalizes such quasi-degenerate manifolds by solving an effective-Hamiltonian eigenproblem in a low-dimensional reference subspace. This reduced problem is exactly equivalent to the full eigenproblem, and its solutions are lifted to the full Hilbert space via a block-encoded wave operator. Our analysis provides provable bounds on eigenvalue accuracy and subspace fidelity, together with total query complexity, demonstrating that quasi-degenerate eigenvalue problems can be solved efficiently without assuming any intra-manifold splitting. We benchmark the algorithm on several systems (the Fermi-Hubbard model, LiH, and the transition-metal complex \[Ru(bpy)3\]2+), demonstrating robust performance and reliable resolution of (quasi-)degeneracies.

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  • Quasi-degenerate eigenvalue problems are central to quantum chemistry and condensed-matter physics, where low-energy spectra often form manifolds of nearly degenerate states...

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