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arXiv:2507.14880

Simultaneous determination of multiple low-energy eigenstates of many-body systems on a superconducting quantum processor

Huili Zhang, Yibin Guo, Guanglei Xu, Yulong Feng, Jing-Ning Zhang, Haifeng Yu, Silu Zhao

Published Jul 20, 2025• 0 citations
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Abstract

The determination of the ground and low-lying excited states is critical in many studies of quantum chemistry and condensed-matter physics. Recent theoretical work proposes a variational quantum eigensolver using ancillary qubits to generate entanglement in the variational circuits, which avoids complex ansatz circuits and successive measurements in the previous algorithms. In this work, we employ the ancilla-entangled variational quantum eigensolver to simultaneously compute multiple low-lying eigenenergies and eigenstates of the H2 molecule and three- and five-spin transverse field Ising models (TFIMs) on a superconducting quantum processor. We obtain the potential energy curves of H2 and show an indication of antiferromagnetic to paramagnetic phase transition in the TFIMs from the average absolute magnetization. Our experiments demonstrate that the algorithm is capable of simultaneously determining multiple eigenenergies and eigenstates of many-body systems with high efficiency and accuracy and with less computational resources.

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The determination of the ground and low-lying excited states is critical in many studies of quantum chemistry and condensed-matter physics. Recent theoretical work proposes a variational quantum eigensolver using ancillary qubits to generate entanglement in the variational circuits, which avoids complex ansatz circuits and successive measurements in the previous algorithms. In this work, we employ the ancilla-entangled variational quantum eigensolver to simultaneously compute multiple low-lying eigenenergies and eigenstates of the H2 molecule and three- and five-spin transverse field Ising models (TFIMs) on a superconducting quantum processor. We obtain the potential energy curves of H2 and show an indication of antiferromagnetic to paramagnetic phase transition in the TFIMs from the average absolute magnetization. Our experiments demonstrate that the algorithm is capable of simultaneously determining multiple eigenenergies and eigenstates of many-body systems with high efficiency and accuracy and with less computational resources.
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Determining the ground and low-lying excited states is critical in numerous scenarios. Recent work has proposed the ancilla-entangled variational quantum eigensolver (AEVQE) that utilizes entanglement between ancilla and physical qubits to simultaneously target multiple low-lying energy levels. In this work, we report the implementation of the AEVQE on a superconducting quantum cloud platform, demonstrating the full procedure of solving the low-lying energy levels of the H 2 molecule and the transverse-field Ising models (TFIMs). We obtain the potential energy curves of H 2 and show an indication of the ferromagnetic to paramagnetic phase transition in the TFIMs from the average absolute magnetization. Moreover, we investigate multiple factors that affect the algorithmic performance and provide a comparison with ancilla-free VQE algorithms. Our work demonstrates the feasibility of the AEVQE algorithm and offers guidance for the VQE approach in solving realistic problems on publicly accessible quantum platforms.
The Variational Quantum Eigensolver (VQE) is a leading hybrid quantum-classical algorithm for simulating many-body systems in the NISQ era. Its effectiveness, however, depends on the faithful preparation of eigenstates, which becomes challenging in degenerate and strongly entangled regimes. We study this problem using the transverse-field Ising model (TFIM) with periodic boundary conditions in one, two, and three dimensions, considering systems of up to 27 qubits. We employ different ansatzes: the hardware-efficient EfficientSU2 from Qiskit, the physics-inspired Hamiltonian Variational Ansatz (HVA) and HVA with symmetry breaking, and benchmark their performance using energy variance, entanglement entropy, spin correlations, and magnetization.
The Variational Quantum Eigensolver (VQE) is a leading hybrid quantum-classical algorithm for simulating many-body systems in the NISQ era. Its effectiveness, however, depends on the faithful preparation of eigenstates, which becomes challenging in degenerate and strongly entangled regimes. We study this problem using the transverse-field Ising model (TFIM) with periodic boundary conditions in one, two, and three dimensions, considering systems of up to 27 qubits. We employ different ansatzes: the hardware-efficient EfficientSU2 from Qiskit, the physics-inspired Hamiltonian Variational Ansatz (HVA) and HVA with symmetry breaking, and benchmark their performance using energy variance, entanglement entropy, spin correlations, and magnetization.
The state-of-the-art quantum computing hardware has entered the noisy intermediate-scale quantum (NISQ) era. Having been constrained by the limited number of qubits and shallow circuit depth, NISQ devices have nevertheless demonstrated the potential of applications on various subjects. One example is the variational quantum eigensolver (VQE) that was first introduced for computing ground states. Although VQE has now been extended to the study of excited states, the algorithms previously proposed involve a recursive optimization scheme which requires many extra operations with significantly deeper quantum circuits to ensure the orthogonality of different trial states. Here we propose a new algorithm to determine many low energy eigenstates simultaneously. By introducing ancillary qubits to purify the trial states so that they keep orthogonal to each other throughout the whole optimization process, our algorithm allows these states to be efficiently computed in one quantum circuit. Our algorithm reduces significantly the complexity of circuits and the readout errors, and enables flexible post-processing on the eigen-subspace from which the eigenpairs can be accurately determined. We demonstrate this algorithm by applying it to the transverse Ising model. By comparing the results obtained using this variational algorithm with the exact ones, we find that the eigenvalues of the Hamiltonian converge quickly with the increase of the circuit depth. The accuracies of the converged eigenvalues are of the same order, which implies that the difference between any two eigenvalues can be more accurately determined than the eigenvalues themselves.
We propose a quantum algorithm that diagonalizes a Hamiltonian by implementing an ansatz that satisfies the generalized Rayleigh-Ritz variational principle. This algorithm uses a purification technique to target many quantum states in one quantum circuit and allows multiple eigenstates to be optimized and determined simultaneously. Moreover, it requires a reasonable circuit depth compared to existing algorithms and enables flexible postprocessing on the accurately determined eigensubspace. Using the transverse-field Ising model, we confirm that the eigenvalues obtained with the algorithm converge efficiently and uniformly with the iteration steps, tested by both simulations and IBM platform measurements. As limited quantum resources are needed, this algorithm is promising for noise resilience, better performances, and versatile applications.