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arXiv:2605.01440

Spectral functions on a quantum computer through system-environment interaction

Etienne Granet, Ramil Nigmatullin, David T. Stephen, Henrik Dreyer

On Aqora:Etienne GranetEtienne Granet
quant-phSubmitted May 2, 2026• Announced May 5, 2026• 0 citations
v1 · May 2, 2026v2 · Oct 11, 2026
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Abstract

Spectral functions measured with angle-resolved photoemission spectroscopy (ARPES) provide key insight to elucidate the band structure of materials. Comparison with theory requires computing dynamical one-point functions in some equilibrium state, which can be classically challenging. Their measurement on quantum computers poses multiple problems and comes with a large sampling overhead when standard techniques are used. We introduce an efficient way of measuring spectral functions on a quantum computer by directly modeling the interaction of the system with the environment involved in ARPES experiments. We develop quantum circuits whose local expectation values are proportional to the spectral function $A(k,ω)$ for all momentum $k$ and a specific chosen frequency $ω$. Although coming with a qubit and two-qubit gate overhead, our approach requires $O(N)$ times less sampling than previous approaches, translating into a factor $O(N)$ faster in runtime, and is particularly adapted to ion-trap quantum computers. The algorithm requires to implement a fermionic Fourier transform (FFT). We write out an efficient gate decomposition for generic radix-$n$ FFT and benchmark it on hardware for radix-$3$ on $27$ qubits. We finally demonstrate our algorithm on a Quantinuum System Model H2 ion-trap system, computing the spectral function on a one-dimensional system of $27$ sites, using $54$ qubits.

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9 pages + supplemental

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Quantum gas microscopes are a promising tool to study interacting quantum many-body systems and bridge the gap between theoretical models and real materials. One of the most powerful experimental methods in solids is angle-resolved photoemission spectroscopy (ARPES), which measures the single-particle spectral function. The authors propose a measurement scheme to experimentally access the momentum- and energy-resolved spectral function in a quantum gas microscope. As an example for possible applications, the spectrum of a single hole excitation in one-dimensional ttt-JJJ models is calculated and analyzed. A sharp asymmetry in the distribution of spectral weight, reminiscent of the Fermi arcs observed in the pseudogap phase of cuprates, appears in the case of an isotropic Heisenberg spin chain.
This thesis first reviews and examines the Angle Resolved Photoemission Spectroscopy (ARPES) experiment. It is shown that the spectral density function, familiar from the Green's function method of studying correlated systems, can be directly measured. A model spectral function with a nontrivial self-energy is then used to test an improvement to a recently arrived method[15,17] to analyze ARPES data. This new method relies on self-consistency between the real and imaginary parts of the self-energy (as measured through the Kramers-Kronig transform) to overcome the requirement of knowing the bare electronic structure. Through this, the method extracts both the complex self-energy and the bare electronic structure from the spectral function. The method described here is an improvement on this idea as previously implemented in that a strict form for the bare band dispersion (previously considered linear or quadratic) is never assumed. Although the method here utilized a polynomial of arbitrary degree, it could be trivially expanded to use any other functional form so long as both the value and first derivative are known analytically as a function of the fitting parameters. Using Mona Berciu's first order momentum average (MA) approximation[2] as implemented by Glen Goodvin[8] the spectral function as well as momentum independent self-energy were calculated for the Holstein polaron for a wide range of parameters. It was found that self-consistent spectral function analysis was highly successful at extracting the self energy and bare electronic dispersion from the spectral function over a consistent subset of these parameters. For studies outside this range of parameters the more traditional ARPES analysis method of measuring renormalization is also examined.
Quantum phase estimation is at the heart of most quantum algorithms with exponential speedup. In this paper we demonstrate how to utilize it to compute the dynamical response functions of many-body quantum systems. Specifically, we design a circuit that acts as an efficient quantum generative model, providing samples out of the spectral function of high rank observables in polynomial time. This includes many experimentally relevant spectra such as the dynamic structure factor, the optical conductivity, or the NMR spectrum. Experimental realization of the algorithm, apart from logarithmic overhead, requires doubling the number of qubits as compared to a simple analog simulator.
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