Quantum solver for single-impurity Anderson models with particle-hole symmetry
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arXiv
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| Autores principales: | , , , , , , , , , , |
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| Formato: | Preprint |
| Publicado: |
2026
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| _version_ | 1866912826497433600 |
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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 |