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The variational quantum eigensolver (VQE), a variational algorithm to obtain an approximated ground state of a given Hamiltonian, is an appealing application of near-term quantum computers. The original work [A. Peruzzo et al.; \textit{Nat.…

Quantum Physics · Physics 2019-11-06 Ken M Nakanishi , Kosuke Mitarai , Keisuke Fujii

Variational Quantum Eigensolver (VQE) provides a lucrative platform to determine molecular energetics in near-term quantum devices. While the VQE is traditionally tailored to determine the ground state wavefunction with the underlying…

Quantum Physics · Physics 2023-08-22 Dibyendu Mondal , Rahul Maitra

The variational quantum eigensolver (VQE) algorithm, designed to calculate the energy of molecular ground states on near-term quantum computers, requires specification of symmetries that describe the system, e.g. spin state and number of…

Quantum Physics · Physics 2020-06-18 Gabriel Greene-Diniz , David Muñoz Ramo

Within the evolving domain of quantum computational chemistry, the Variational Quantum Eigensolver (VQE) has been developed to explore not only the ground state but also the excited states of molecules. In this study, we compare the…

Quantum Physics · Physics 2024-06-18 I-Chi Chen , Nouhaila Innan , Suman Kumar Roy , Jason Saroni

The variational quantum eigensolver (VQE) is one of the most promising algorithms for low-lying eigenstates calculation on Noisy Intermediate-Scale Quantum (NISQ) computers. Specifically, VQE has achieved great success for ground state…

Numerical Analysis · Mathematics 2025-12-19 Hengzhun Chen , Yingzhou Li , Bichen Lu , Jianfeng Lu

The ground and excited state calculations at key geometries, such as the Frank-Condon (FC) and the conical intersection (CI) geometries, are essential for understanding photophysical properties. To compute these geometries on noisy…

Quantum Physics · Physics 2023-01-02 Shigeki Gocho , Hajime Nakamura , Shu Kanno , Qi Gao , Takao Kobayashi , Taichi Inagaki , Miho Hatanaka

This work explores the application of the concurrent variational quantum eigensolver (cVQE) for computing excited states of the Schwinger model. By designing suitable ansatz circuits utilizing universal SO(4) or SO(8) qubit gates, we…

Quantum Physics · Physics 2024-07-23 Yibin Guo , Takis Angelides , Karl Jansen , Stefan Kühn

Quantum systems in excited states are attracting significant interest with the advent of noisy intermediate scale quantum (NISQ) devices. While ground states of small molecular systems are typically explored using hybrid variational…

Quantum Physics · Physics 2025-11-18 Cameron Cianci , Lea F. Santos , Victor S. Batista

The variational quantum eigensolver (or VQE) uses the variational principle to compute the ground state energy of a Hamiltonian, a problem that is central to quantum chemistry and condensed matter physics. Conventional computing methods are…

The variational quantum eigensolver (VQE) is an algorithm to compute ground and excited state energy of quantum many-body systems. A key component of the algorithm and an active research area is the construction of a parametrized trial…

The study of spontaneous supersymmetry breaking (SSB) on the lattice is obstructed by a severe sign problem. Quantum computing provides a promising alternative approach. In particular, properties of supersymmetry relate SSB to the…

Quantum Physics · Physics 2026-03-20 John Kerfoot , David Schaich , Emanuele Mendicelli

Most literature in the Variational Quantum Eigensolver (VQE) algorithm focuses on finding the ground state of a physical system, by minimizing a quantum-computed cost-function. When excited states are required, the cost-function is usually…

Quantum Physics · Physics 2022-04-12 Kyle Sherbert , Marco Buongiorno Nardelli

Quantum computing offers a scalable approach to solving the nuclear shell model, a highly complex and exponentially scaled many-body problem. This work presents a numerical simulation of the subspace search variational quantum eigensolver…

Nuclear Theory · Physics 2025-12-16 Bhoomika Maheshwari , Paul Stevenson , P. Van Isacker

Variational quantum eigensolver(VQE) typically minimizes energy with hybrid quantum-classical optimization, which aims to find the ground state. Here, we propose a VQE by minimizing energy variance, which is called as variance-VQE(VVQE).…

Quantum Physics · Physics 2020-06-30 Dan-Bo Zhang , Zhan-Hao Yuan , Tao Yin

The Variational Quantum Eigensolver (VQE) is a promising hybrid algorithm, utilizing both quantum and classical computers to obtain the ground state energy of molecules. In this context, this study applies VQE to investigate the ground…

The Variational Quantum Eigensolver (VQE), as a hybrid quantum-classical algorithm, is an important tool for effective quantum computing in the current noisy intermediate-scale quantum (NISQ) era. However, the traditional hardware-efficient…

Strongly Correlated Electrons · Physics 2025-11-20 Shaohui Yao , Wenyu Wang

The variational quantum eigensolver (VQE) is an algorithm for finding the ground states of a given Hamiltonian. Its application to binary-formulated combinatorial optimization (CO) has been widely studied in recent years. However, typical…

Quantum Physics · Physics 2025-08-08 Ningyi Xie , Xinwei Lee , Tiejin Chen , Yoshiyuki Saito , Nobuyoshi Asai , Dongsheng Cai

Calculating excited states in chemistry is crucial to provide insight into photoinduced molecular behavior beyond the ground state, enabling innovations in spectroscopy, material sciences, and drug design. While several approaches have been…

Quantum Physics · Physics 2025-10-14 Akilan Rajamani , Martin Beseda , Benjamin Lasorne , Bruno Senjean

By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Jerimiah Wright , Alexander J. McCaskey , Travis S. Humble

The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for current and near-term quantum devices. Despite its initial success, there is a lack of understanding involving several of its key aspects. There…

Quantum Physics · Physics 2023-03-22 Manpreet Singh Jattana , Fengping Jin , Hans De Raedt , Kristel Michielsen
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