Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:2409.06340 · Physics Letters B

Quantum computing for extracting nuclear resonances

Hantao Zhang, Dong Bai, Zhongzhou Ren

Published Dec 13, 2024• 9 citations
arXivHTMLPDF

Abstract

Quantum computing has been increasingly applied in nuclear physics. In this work, we combine quantum computing with the complex scaling method to address the resonance problem. Due to the non-Hermiticity introduced by complex scaling, standard quantum computing cannot solve for complex eigenvalues directly. Therefore, it is necessary to embed the non-Hermitian operator into a larger dimensional unitary operator. Additionally, for the case of two basis vectors, we improve the traditional direct measurement method and optimize the quantum circuit. Ultimately, using the α + α system as an example, we obtain the complex eigenenergies from the quantum computer that are consistent with those obtained from direct Hamiltonian diagonalization.

DOI
10.1016/j.physletb.2024.139187

Related papers

Quantum simulations of nuclear resonances with variational methods

Ashutosh Singh, Pooja Siwach, P. Arumugam

Background: The many-body nature of nuclear physics problems poses significant computational challenges. These challenges become even more pronounced when studying the resonance states of nuclear systems, which are governed by the non-Hermitian Hamiltonian. Quantum computing, particularly for quantum many-body systems, offers a promising alternative, especially within the constraints of current noisy intermediate-scale quantum (NISQ) devices.Purpose: This work aims to simulate nuclear resonances using quantum algorithms by developing a variational framework compatible with non-Hermitian Hamiltonians and implementing it fully on a quantum simulator.Methods: We employ the complex scaling technique to extract resonance positions classically and adapt it for quantum simulations using a two-step algorithm. First, we transform the non-Hermitian Hamiltonian into a Hermitian form by using the energy variance as a cost function within a variational framework. Second, we perform $\ensuremath{\theta}$-trajectory calculations to determine optimal resonance positions in the complex energy plane. To address resource constraints on NISQ devices, we utilize Gray code (GC) encoding to reduce qubit requirements.Results: We first validate our approach using a schematic potential model that mimics a nuclear potential, successfully reproducing known resonance energies with high fidelity. We then extend the method to a more realistic $\ensuremath{\alpha}\text{\ensuremath{-}}\ensuremath{\alpha}$ nuclear potential and compute the $D$- and $G$-wave resonance energies with a basis size of $N=16$, using only four qubits. The quantum simulation results closely match the classical values, demonstrating the feasibility of our approach.Conclusions: This study demonstrates, for the first time, that the complete $\ensuremath{\theta}$-trajectory method can be implemented on a quantum computer without relying on any classical input beyond the Hamiltonian. The results establish a scalable and efficient quantum framework for simulating resonance phenomena in nuclear systems. This work represents a significant step toward quantum simulations of open quantum systems and lays the foundation for future investigations into resonance structures in nuclear, atomic, and molecular physics.

arXiv:2504.11685•Physical Review C•Jul 18, 2025•7 citations

Quantum computing for atomic and molecular resonances

Teng Bian, Sabre Kais

The complex-scaling method can be used to calculate molecular resonances within the Born–Oppenheimer approximation, assuming that the electronic coordinates are dilated independently of the nuclear coordinates. With this method, one will calculate the complex energy of a non-Hermitian Hamiltonian, whose real part is associated with the resonance position and imaginary part is the inverse of the lifetime. In this study, we propose techniques to simulate resonances on a quantum computer. First, we transformed the scaled molecular Hamiltonian to second quantization and then used the Jordan–Wigner transformation to transform the scaled Hamiltonian to the qubit space. To obtain the complex eigenvalues, we introduce the direct measurement method, which is applied to obtain the resonances of a simple one-dimensional model potential that exhibits pre-dissociating resonances analogous to those found in diatomic molecules. Finally, we applied the method to simulate the resonances of the H2− molecule. The numerical results from the IBM Qiskit simulators and IBM quantum computers verify our techniques.

arXiv:2011.13999•The Journal of Chemical Physics•May 19, 2021•11 citations

Iterative Harrow-Hassidim-Lloyd quantum algorithm for solving resonances with eigenvector continuation

Hantao Zhang, Dong Bai, Zhongzhou Ren

We propose a novel quantum algorithm for solving nuclear resonances, which is based on the iterative Harrow-Hassidim-Lloyd algorithm and eigenvector continuation with complex scaling. To validate this approach, we compute the resonant states of α − α system and achieve results in good agreement with traditional methods. Our study offers a new perspective on calculating eigenvalues of non-Hermitian operators and lays some groundwork for further exploration of nuclear resonances using quantum computing.

arXiv:2506.20929•Physics Letters B•Jan 17, 2026•1 citation

Accurate complex scaling of three dimensional numerical potentials

Alessandro Cerioni, Luigi Genovese, Ivan Duchemin +1 more

The complex scaling method, which consists in continuing spatial coordinates into the complex plane, is a well-established method that allows to compute resonant eigenfunctions of the time-independent Schrödinger operator. Whenever it is desirable to apply the complex scaling to investigate resonances in physical systems defined on numerical discrete grids, the most direct approach relies on the application of a similarity transformation to the original, unscaled Hamiltonian. We show that such an approach can be conveniently implemented in the Daubechies wavelet basis set, featuring a very promising level of generality, high accuracy, and no need for artificial convergence parameters. Complex scaling of three dimensional numerical potentials can be efficiently and accurately performed. By carrying out an illustrative resonant state computation in the case of a one-dimensional model potential, we then show that our wavelet-based approach may disclose new exciting opportunities in the field of computational non-Hermitian quantum mechanics.

arXiv:1303.6439•The Journal of Chemical Physics•May 28, 2013•12 citations

Solving complex eigenvalue problems on a quantum annealer with applications to quantum scattering resonances

Alexander Teplukhin, Brian K. Kendrick, Dmitri Babikov

Quantum computing is a new and rapidly evolving paradigm for solving chemistry problems. In previous work, we developed the Quantum Annealer Eigensolver (QAE) and applied it to the calculation of the vibrational spectrum of a molecule on the D-Wave quantum annealer. However, the original QAE methodology was applicable to real symmetric matrices only. For many physics and chemistry problems, the diagonalization of complex matrices is required. For example, the calculation of quantum scattering resonances can be formulated as a complex eigenvalue problem where the real part of the eigenvalue is the resonance energy and the imaginary part is proportional to the resonance width. In the present work, we generalize the QAE to treat complex matrices: first complex Hermitian matrices and then complex symmetric matrices. These generalizations are then used to compute a quantum scattering resonance state in a 1D model potential for O + O collisions. These calculations are performed using both a software (classical) annealer and hardware annealer (the D-Wave 2000Q). The results of the complex QAE are also benchmarked against a standard linear algebra library (LAPACK). This work presents the first numerical solution of a complex eigenvalue problem of any kind on a quantum annealer, and it is the first treatment of a quantum scattering resonance on any quantum device.

Physical Chemistry Chemical Physics•Jan 1, 2020•28 citations

Heisenberg-Limited Quantum Eigenvalue Estimation for Non-normal Matrices

Yukun Zhang, Yusen Wu, Xiao Yuan

Estimating the eigenvalues of non-normal matrices is a foundational problem with far-reaching implications, from modeling non-Hermitian quantum systems to analyzing complex fluid dynamics. Yet, this task remains beyond the reach of standard quantum algorithms, which are predominantly tailored for Hermitian matrices. Here we introduce a new class of quantum algorithms that directly address this challenge. The central idea is to construct eigenvalue signals through customized quantum simulation protocols and extract them using advanced classical signal-processing techniques, thereby enabling accurate and efficient eigenvalue estimation for general non-normal matrices. Crucially, when supplied with purified quantum state inputs, our algorithms attain Heisenberg-limited precision--achieving optimal performance. These results extend the powerful guided local Hamiltonian framework into the non-Hermitian regime, significantly broadening the frontier of quantum computational advantage. Our work lays the foundation for a rigorous and scalable quantum computing approach to one of the most demanding problems in linear algebra.

arXiv:2510.19651•Oct 22, 2025•0 citations
Quantum computing has been increasingly applied in nuclear physics. In this work, we combine quantum computing with the complex scaling method to address the resonance problem. Due to the non-Hermiticity introduced by complex scaling, standard quantum computing cannot solve for complex eigenvalues directly. Therefore, it is necessary to embed the non-Hermitian operator into a larger dimensional unitary operator. Additionally, for the case of two basis vectors, we improve the traditional direct measurement method and optimize the quantum circuit. Ultimately, using the α + α system as an example, we obtain the complex eigenenergies from the quantum computer that are consistent with those obtained from direct Hamiltonian diagonalization.
Background: The many-body nature of nuclear physics problems poses significant computational challenges. These challenges become even more pronounced when studying the resonance states of nuclear systems, which are governed by the non-Hermitian Hamiltonian. Quantum computing, particularly for quantum many-body systems, offers a promising alternative, especially within the constraints of current noisy intermediate-scale quantum (NISQ) devices.Purpose: This work aims to simulate nuclear resonances using quantum algorithms by developing a variational framework compatible with non-Hermitian Hamiltonians and implementing it fully on a quantum simulator.Methods: We employ the complex scaling technique to extract resonance positions classically and adapt it for quantum simulations using a two-step algorithm. First, we transform the non-Hermitian Hamiltonian into a Hermitian form by using the energy variance as a cost function within a variational framework. Second, we perform $\ensuremath{\theta}$-trajectory calculations to determine optimal resonance positions in the complex energy plane. To address resource constraints on NISQ devices, we utilize Gray code (GC) encoding to reduce qubit requirements.Results: We first validate our approach using a schematic potential model that mimics a nuclear potential, successfully reproducing known resonance energies with high fidelity. We then extend the method to a more realistic $\ensuremath{\alpha}\text{\ensuremath{-}}\ensuremath{\alpha}$ nuclear potential and compute the DDD- and GGG-wave resonance energies with a basis size of N=16N=16N=16, using only four qubits. The quantum simulation results closely match the classical values, demonstrating the feasibility of our approach.Conclusions: This study demonstrates, for the first time, that the complete $\ensuremath{\theta}$-trajectory method can be implemented on a quantum computer without relying on any classical input beyond the Hamiltonian. The results establish a scalable and efficient quantum framework for simulating resonance phenomena in nuclear systems. This work represents a significant step toward quantum simulations of open quantum systems and lays the foundation for future investigations into resonance structures in nuclear, atomic, and molecular physics.
The complex-scaling method can be used to calculate molecular resonances within the Born–Oppenheimer approximation, assuming that the electronic coordinates are dilated independently of the nuclear coordinates. With this method, one will calculate the complex energy of a non-Hermitian Hamiltonian, whose real part is associated with the resonance position and imaginary part is the inverse of the lifetime. In this study, we propose techniques to simulate resonances on a quantum computer. First, we transformed the scaled molecular Hamiltonian to second quantization and then used the Jordan–Wigner transformation to transform the scaled Hamiltonian to the qubit space. To obtain the complex eigenvalues, we introduce the direct measurement method, which is applied to obtain the resonances of a simple one-dimensional model potential that exhibits pre-dissociating resonances analogous to those found in diatomic molecules. Finally, we applied the method to simulate the resonances of the H2− molecule. The numerical results from the IBM Qiskit simulators and IBM quantum computers verify our techniques.
We propose a novel quantum algorithm for solving nuclear resonances, which is based on the iterative Harrow-Hassidim-Lloyd algorithm and eigenvector continuation with complex scaling. To validate this approach, we compute the resonant states of α − α system and achieve results in good agreement with traditional methods. Our study offers a new perspective on calculating eigenvalues of non-Hermitian operators and lays some groundwork for further exploration of nuclear resonances using quantum computing.
The complex scaling method, which consists in continuing spatial coordinates into the complex plane, is a well-established method that allows to compute resonant eigenfunctions of the time-independent Schrödinger operator. Whenever it is desirable to apply the complex scaling to investigate resonances in physical systems defined on numerical discrete grids, the most direct approach relies on the application of a similarity transformation to the original, unscaled Hamiltonian. We show that such an approach can be conveniently implemented in the Daubechies wavelet basis set, featuring a very promising level of generality, high accuracy, and no need for artificial convergence parameters. Complex scaling of three dimensional numerical potentials can be efficiently and accurately performed. By carrying out an illustrative resonant state computation in the case of a one-dimensional model potential, we then show that our wavelet-based approach may disclose new exciting opportunities in the field of computational non-Hermitian quantum mechanics.
Quantum computing is a new and rapidly evolving paradigm for solving chemistry problems. In previous work, we developed the Quantum Annealer Eigensolver (QAE) and applied it to the calculation of the vibrational spectrum of a molecule on the D-Wave quantum annealer. However, the original QAE methodology was applicable to real symmetric matrices only. For many physics and chemistry problems, the diagonalization of complex matrices is required. For example, the calculation of quantum scattering resonances can be formulated as a complex eigenvalue problem where the real part of the eigenvalue is the resonance energy and the imaginary part is proportional to the resonance width. In the present work, we generalize the QAE to treat complex matrices: first complex Hermitian matrices and then complex symmetric matrices. These generalizations are then used to compute a quantum scattering resonance state in a 1D model potential for O + O collisions. These calculations are performed using both a software (classical) annealer and hardware annealer (the D-Wave 2000Q). The results of the complex QAE are also benchmarked against a standard linear algebra library (LAPACK). This work presents the first numerical solution of a complex eigenvalue problem of any kind on a quantum annealer, and it is the first treatment of a quantum scattering resonance on any quantum device.
Estimating the eigenvalues of non-normal matrices is a foundational problem with far-reaching implications, from modeling non-Hermitian quantum systems to analyzing complex fluid dynamics. Yet, this task remains beyond the reach of standard quantum algorithms, which are predominantly tailored for Hermitian matrices. Here we introduce a new class of quantum algorithms that directly address this challenge. The central idea is to construct eigenvalue signals through customized quantum simulation protocols and extract them using advanced classical signal-processing techniques, thereby enabling accurate and efficient eigenvalue estimation for general non-normal matrices. Crucially, when supplied with purified quantum state inputs, our algorithms attain Heisenberg-limited precision--achieving optimal performance. These results extend the powerful guided local Hamiltonian framework into the non-Hermitian regime, significantly broadening the frontier of quantum computational advantage. Our work lays the foundation for a rigorous and scalable quantum computing approach to one of the most demanding problems in linear algebra.