Quantum block Krylov subspace projector algorithm for computing low-lying eigenenergies

Computing eigenvalues is a computationally intensive task central to many applications in the natural sciences, particularly in quantum physics and chemistry, where determining low-lying energy spectra is key to characterizing physical and chemical properties.Toward this end, we present and investigate the quantum block Krylov subspace projector (QBKSP) algorithm-a multireference quantum Lanczos method-to accurately compute low-lying eigenenergies, including degenerate ones.We propose three compact quantum circuits, each suited to different problem settings, for evaluating the necessary expectation values.In contrast to previous multireference quantum Krylov methods, QBKSP achieves linear scaling with respect to the number of Krylov iterations instead of a quadratic one, and furthermore reduces the scaling with respect to the number of references by half for real Hamiltonians and reference states.To assess the impact of the number and fidelity of the initial reference states, as well as the QBKSP performance in different parameter regimes, we perform both error-free and sampling noise-limited simulations.Our results demonstrate that employing multiple reference states significantly improves convergence, particularly in noisy scenarios or when a single reference fails to capture all target eigenstates.Moreover, the QBKSP algorithm allows for the determination of degenerate eigenstates and their multiplicities through appropriate convergence conditions.

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Publication Details

Journal
Research at the University of Copenhagen (University of Copenhagen)
Published
2025-11-20
DOI
https://doi.org/10.1103/p8wj-gplb
Primary Topic
Quantum Computing Algorithms and Architecture
Type
article
Field-Weighted Citation Impact
0.00

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article

Quantum block Krylov subspace projector algorithm for computing low-lying eigenenergies

Maria Gabriela Jordão Oliveira, Nina Glaser
Research at the University of Copenhagen (University of Copenhagen)
Quantum Computing Algorithms and Architecture
article

Quantum block Krylov subspace projector algorithm for computing low-lying eigenenergies

Maria Gabriela Jordão Oliveira, Nina Glaser
article en

Abstract

Computing eigenvalues is a computationally intensive task central to many applications in the natural sciences, particularly in quantum physics and chemistry, where determining low-lying energy spectra is key to characterizing physical and chemical properties.Toward this end, we present and investigate the quantum block Krylov subspace projector (QBKSP) algorithm-a multireference quantum Lanczos method-to accurately compute low-lying eigenenergies, including degenerate ones.We propose three compact quantum circuits, each suited to different problem settings, for evaluating the necessary expectation values.In contrast to previous multireference quantum Krylov methods, QBKSP achieves linear scaling with respect to the number of Krylov iterations instead of a quadratic one, and furthermore reduces the scaling with respect to the number of references by half for real Hamiltonians and reference states.To assess the impact of the number and fidelity of the initial reference states, as well as the QBKSP performance in different parameter regimes, we perform both error-free and sampling noise-limited simulations.Our results demonstrate that employing multiple reference states significantly improves convergence, particularly in noisy scenarios or when a single reference fails to capture all target eigenstates.Moreover, the QBKSP algorithm allows for the determination of degenerate eigenstates and their multiplicities through appropriate convergence conditions.

Research at the University of Copenhagen (University of Copenhagen)
University of Copenhagen (DK), Quantum Applied Science and Research (United States) (US), Quantum Technologies (Sweden) (SE)
Novo Nordisk, Novo Nordisk Fonden
Openalex Percentile: Top 81%
Quantum Computing Algorithms and Architecture
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