Particle-Number-Preserving Quantum Signal Processing for Thermal Properties: Canonical-Ensemble Estimation and Grand-Canonical Reconstruction

Abstract:We develop an end-to-end framework for estimating canonical thermal properties of particle-number-conserving second-quantized Hamiltonians using quantum simulations. The framework integrates initial state preparation with mixed Dicke states, particle-number-preserving Trotterized simulation, and generalized quantum signal processing to estimate canonical partition functions and observables. Building on this canonical scheme, we introduce a grand-canonical reconstruction scheme in which the same quantum measurement data can be reused for arbitrary chemical potentials through classical reweighting, thereby avoiding repeated quantum circuit executions as the chemical potential is varied. We prove the existence of system-size-independent temperature regimes in which both the canonical and reconstructed grand-canonical schemes have lower asymptotic time complexity than classical Lanczos methods, up to polynomial factors, for physically relevant Hamiltonians. We numerically validate our theoretical results for the two-dimensional Hubbard model in both weak- and intermediate-coupling regimes.

Quantum Physics (quant-ph); Numerical Analysis (math.NA)

arXiv:2610.09373 [quant-ph]

(or arXiv:2610.09373v1 [quant-ph] for this version)

https://doi.org/10.48550/arXiv.2610.09373 Focus to learn more arXiv-issued DOI via DataCite (pending registration)

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