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.

Authors

Institutions

Publication Details

Journal
Physical review. A/Physical review, A
Published
2025-11-20
DOI
https://doi.org/10.1103/p8wj-gplb
Primary Topic
Neural Networks and Reservoir Computing
Type
article
Field-Weighted Citation Impact
0.00
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

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

Maria Gabriela Jordão Oliveira, Nina Glaser
Physical review. A/Physical review, A
Neural Networks and Reservoir Computing
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.

Physical review. A/Physical review, AVol. 112(5)
University of Copenhagen (DK)
Openalex Percentile: Top 85%
Neural Networks and Reservoir Computing
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.

Quantum block Krylov subspace projector algorithm for computing low-lying eigenenergies — Maria Gabriela Jordão Oliveira, Nina Glaser · Physical review. A/Physical review, A (2025) | TGRS Research Map | TGRS