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Quantum Solvers for Nonlinear Matrix Equations in Quantum Chemistry

arXiv
Authors: Pablo Rodenas-Ruiz, Andrew Zhao, Joonho Lee

Year

2026

Paper ID

63893

Status

Preprint

Abstract Read

~2 min

Abstract Words

129

Citations

N/A

Abstract

We present a quantum algorithm for solving algebraic Riccati equations, with applications to quantum-chemical random-phase approximation (RPA) and higher-order RPA theories. Our method block-encodes stabilizing Riccati solutions via Riesz projectors onto invariant subspaces of an associated non-normal matrix, implemented using contour-integral resolvents and quantum singular value transformations. Applied to m-particle, m-hole RPA, our algorithm yields a block-encoding of the amplitude solution and estimates the electronic correlation-energy density with it. Under localized-orbital sparsity assumptions, the end-to-end cost scales linearly with system size and polynomially with excitation rank m, suggesting an exponential advantage in m over plausible classical local-correlation heuristics. More broadly, this work provides a framework for quantum algorithms for nonlinear matrix equations in quantum chemistry and opens a possible route toward developing quantum algorithms for coupled-cluster theory.

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  • We present a quantum algorithm for solving algebraic Riccati equations, with applications to quantum-chemical random-phase approximation (RPA) and higher-order RPA theories.

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