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arXiv:2604.26813

Classical simulation of free-fermionic dynamics and quantum chemistry with magic input

Changhun Oh, Michał Oszmaniec, Oliver Reardon-Smith, Zoltán Zimborás

quant-phSubmitted Apr 29, 2026• Announced Apr 30, 2026• 0 citations• Revised May 12, 2026 (v2)
v1 · Apr 29, 2026v2 · May 12, 2026
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Abstract

Establishing the precise computational boundary between classically tractable fermionic systems and those capable of genuine quantum advantage is a central challenge in quantum simulation. While injecting non-Gaussian ``magic" inputs into free-fermion circuits is widely expected to generate intractable complexity, we identify a physically motivated intermediate regime. We prove that for block-product paired non-Gaussian fermionic states, essential quantum simulation primitives -- transition amplitudes, overlaps, and arbitrary-weight number correlators -- can be efficiently approximated to additive error under free-fermionic dynamics. This tractability stems from an algebraic reduction that compresses exponentially large multiparticle interference into a single coefficient of a multivariate Pfaffian polynomial. Because these classical estimators match the intrinsic $O(1/\sqrt{K})$ statistical uncertainty of quantum hardware utilizing $K$ measurement shots, they constitute a practical benchmark. Building on this foundation, we construct an additive-error estimator for high-weight Wilson observables in the noninteracting quench of recent trapped-ion experiments, providing a rigorous classical benchmark. Extending this to quantum chemistry, we demonstrate that core overlap-based subroutines for antisymmetrized products of strongly orthogonal geminals admit efficient additive-error Pfaffian-kernel estimators. Ultimately, these results sharpen the boundary of quantum advantage, establishing that the paired-electron scaffold is dequantized and clarifying where quantum resources are indispensable.

Comments
This version resolves the previous conjecture by proving the additive-error estimator bound for arbitrary block-product APSG inputs. The corresponding theorems, applications, and appendix proofs have been updated

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Establishing the precise computational boundary between classically tractable fermionic systems and those capable of genuine quantum advantage is a central challenge in quantum simulation. While injecting non-Gaussian ``magic" inputs into free-fermion circuits is widely expected to generate intractable complexity, we identify a physically motivated intermediate regime. We prove that for block-product paired non-Gaussian fermionic states, essential quantum simulation primitives -- transition amplitudes, overlaps, and arbitrary-weight number correlators -- can be efficiently approximated to additive error under free-fermionic dynamics. This tractability stems from an algebraic reduction that compresses exponentially large multiparticle interference into a single coefficient of a multivariate Pfaffian polynomial. Because these classical estimators match the intrinsic O(1/K)O(1/\sqrt{K})O(1/K​) statistical uncertainty of quantum hardware utilizing KKK measurement shots, they constitute a practical benchmark. Building on this foundation, we construct an additive-error estimator for high-weight Wilson observables in the noninteracting quench of recent trapped-ion experiments, providing a rigorous classical benchmark. Extending this to quantum chemistry, we demonstrate that core overlap-based subroutines for antisymmetrized products of strongly orthogonal geminals admit efficient additive-error Pfaffian-kernel estimators. Ultimately, these results sharpen the boundary of quantum advantage, establishing that the paired-electron scaffold is dequantized and clarifying where quantum resources are indispensable.
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Quantum impurity models are paradigmatic models of interacting quantum matter, as well as key computational primitives for modern electronic-structure methods. They describe a small subsystem of interacting fermions coupled to a large, noninteracting bath. We perform a comprehensive study of the computational complexity of simulating impurity models, delineating the boundary between classical and quantum tractability for this class of problems. Our main finding is that static properties of quantum impurity models can be calculated efficiently on a classical computer. Specifically, we give classical algorithms that (1) estimate the ground-state energy to additive precision δδδ in time poly(n,δ−1)\mathrm{poly}(n,δ^{-1})poly(n,δ−1), and (2) estimate the partition function at inverse temperature βββ to relative precision δδδ in time poly(n,β,δ−1)\mathrm{poly}(n,β,δ^{-1})poly(n,β,δ−1), where nnn is the system size. These results improve the previous best-known complexity for ground-state energy estimation from quasipolynomial to polynomial time, while establishing for the first time rigorous polynomial-time guarantees for simulating impurity models in thermal equilibrium. On the other hand, we find that simulating dynamical properties of impurity models is hard for classical computers but easy on a quantum computer. As a canonical example, we show that computing their nonequilibrium Green's functions captures the full power of quantum computation, even at finite temperature. Taken together, our results rule out superpolynomial quantum speedups for computing static properties, but provide an avenue for quantum advantage in simulating impurity physics out of equilibrium.
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Fermionic platforms offer compelling architectures for quantum computing, ranging from topologically protected Majorana-based qubits to fermionic cold atoms. To achieve scalability, however, they require quantum error correction. In this work, we prove that any exact and sufficiently accurate approximate fermionic quantum error correction necessarily requires non-Gaussian operations, beyond the free-fermion regime of quadratic dynamics. This is in sharp contrast to the qubit setting, where the efficiently classically simulable stabilizer operations form the standard framework for quantum error correction. Specifically, we show that the logical space of any non-trivial fermionic error-correcting code contains no pure fermionic Gaussian state, utilizing a fundamental incompatibility between fermionic error correction and Wick's theorem. We further show that the required number of bounded-weight non-Gaussian gates for unitary codeword preparation grows at least linearly with both the code distance and the number of encoded modes, revealing an intrinsic resource overhead that increases simultaneously with error-protection strength and logical capacity. Furthermore, we analyze the performance of fermionic Gaussian operations in entanglement distillation, revealing a distinction from their bosonic counterparts. Our results reveal fundamental difficulties for fermionic error correction from the perspectives of both physical implementation and classical simulation, suggesting connections to fermionic phases of matter and state preparation complexity.