Quantum solver for single-impurity Anderson models with particle-hole symmetry

Fuente: arXiv
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Autores principales: Karabin, Mariia, Sohail, Tanvir, Bykov, Dmytro, Pérez, Eduardo Antonio Coello, Ghosh, Swarnava, Meena, Murali Gopalakrishnan, Kim, Seongmin, Shehata, Amir, Suh, In-Saeng, Terletska, Hanna, Eisenbach, Markus
Formato: Preprint
Publicado: 2026
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author Karabin, Mariia
Sohail, Tanvir
Bykov, Dmytro
Pérez, Eduardo Antonio Coello
Ghosh, Swarnava
Meena, Murali Gopalakrishnan
Kim, Seongmin
Shehata, Amir
Suh, In-Saeng
Terletska, Hanna
Eisenbach, Markus
author_facet Karabin, Mariia
Sohail, Tanvir
Bykov, Dmytro
Pérez, Eduardo Antonio Coello
Ghosh, Swarnava
Meena, Murali Gopalakrishnan
Kim, Seongmin
Shehata, Amir
Suh, In-Saeng
Terletska, Hanna
Eisenbach, Markus
contents Quantum embedding methods, such as dynamical mean-field theory (DMFT), provide a powerful framework for investigating strongly correlated materials. A central computational bottleneck in DMFT is in solving the Anderson impurity model (AIM), whose exact solution is classically intractable for large bath sizes. In this work, we develop and benchmark a quantum-classical hybrid solver tailored for DMFT applications, using the variational quantum eigensolver (VQE) to prepare the ground state of the AIM with shallow quantum circuits. The solver uses a unified ansatz framework to prepare the particle and hole excitations of the ground-state from parameter-shifted circuits, enabling the reconstruction of the impurity Green's function through a continued-fraction expansion. We evaluate the performance of this approach across a few bath sizes and interaction strengths under noisy, shot-limited conditions. We compare three optimization routines (COBYLA, Adam, and L-BFGS-B) in terms of convergence and fidelity, assess the benefits of estimating a quantum-computed moment (QCM) correction to the variational energies, and benchmark the approach by comparing the reconstructed density of states (DOS) against that obtained using a classical pipeline. Our results demonstrate the feasibility of Green's function reconstruction on near-term devices and establish practical benchmarks for quantum impurity solvers embedded within self-consistent DMFT loops.
format Preprint
id arxiv_https___arxiv_org_abs_2601_10594
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Quantum solver for single-impurity Anderson models with particle-hole symmetry
Karabin, Mariia
Sohail, Tanvir
Bykov, Dmytro
Pérez, Eduardo Antonio Coello
Ghosh, Swarnava
Meena, Murali Gopalakrishnan
Kim, Seongmin
Shehata, Amir
Suh, In-Saeng
Terletska, Hanna
Eisenbach, Markus
Quantum Physics
Materials Science
Quantum embedding methods, such as dynamical mean-field theory (DMFT), provide a powerful framework for investigating strongly correlated materials. A central computational bottleneck in DMFT is in solving the Anderson impurity model (AIM), whose exact solution is classically intractable for large bath sizes. In this work, we develop and benchmark a quantum-classical hybrid solver tailored for DMFT applications, using the variational quantum eigensolver (VQE) to prepare the ground state of the AIM with shallow quantum circuits. The solver uses a unified ansatz framework to prepare the particle and hole excitations of the ground-state from parameter-shifted circuits, enabling the reconstruction of the impurity Green's function through a continued-fraction expansion. We evaluate the performance of this approach across a few bath sizes and interaction strengths under noisy, shot-limited conditions. We compare three optimization routines (COBYLA, Adam, and L-BFGS-B) in terms of convergence and fidelity, assess the benefits of estimating a quantum-computed moment (QCM) correction to the variational energies, and benchmark the approach by comparing the reconstructed density of states (DOS) against that obtained using a classical pipeline. Our results demonstrate the feasibility of Green's function reconstruction on near-term devices and establish practical benchmarks for quantum impurity solvers embedded within self-consistent DMFT loops.
title Quantum solver for single-impurity Anderson models with particle-hole symmetry
topic Quantum Physics
Materials Science
url https://arxiv.org/abs/2601.10594