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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

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

We propose a momentum-space based variational quantum eigensolver (VQE) framework for simulating quasiparticle excitations in interacting quantum many-body systems on near-term quantum devices. Leveraging translational invariance and other…

Strongly Correlated Electrons · Physics 2025-11-24 Saavanth Velury , Yuxuan Wang

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

The weighted subspace-search variational quantum eigensolver (SSVQE) is a prominent algorithm for calculating excited-state properties of molecular quantum systems. In this work, we elaborate on some of its fundamental features with the aim…

Current quantum computers are limited in the number of qubits and coherence time, constraining the algorithms executable with sufficient fidelity. The variational quantum eigensolver (VQE) is an algorithm to find an approximate ground state…

Quantum Physics · Physics 2023-01-24 Luca Erhart , Kosuke Mitarai , Wataru Mizukami , Keisuke Fujii

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), a type of variational quantum algorithm, is a hybrid quantum-classical algorithm to find the lowest-energy eigenstate of a particular Hamiltonian. We investigate ways to optimize the VQE solving…

Quantum Physics · Physics 2024-10-30 Adam Hutchings , Eric Yarnot , Xinpeng Li , Qiang Guan , Ning Xie , Shuai Xu , Vipin Chaudhary

The variational quantum eigensolver (VQE) is one of the most promising algorithms to find eigenvalues and eigenvectors of a given Hamiltonian on noisy intermediate-scale quantum (NISQ) devices. A particular application is to obtain ground…

We introduce the Qumode Subspace Variational Quantum Eigensolver (QSS-VQE), a hybrid quantum-classical algorithm for computing molecular excited states using the Fock basis of bosonic qumodes in circuit quantum electrodynamics (cQED)…

Solving for molecular excited states remains one of the key challenges of modern quantum chemistry. Traditional methods are constrained by existing computational capabilities, limiting the complexity of the molecules that can be studied or…

Quantum Physics · Physics 2021-04-13 Jules Tilly , Glenn Jones , Hongxiang Chen , Leonard Wossnig , Edward Grant

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 (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…

A quantum computing algorithm is proposed to obtain low-lying excited states in many-body interacting systems. The approximate eigenstates are obtained by using a quantum space diagonalization method in a subspace of states selected from…

Quantum Physics · Physics 2025-06-30 Jing Zhang , Denis Lacroix

The variational quantum eigensolver (VQE) remains one of the most popular near-term quantum algorithms for solving the electronic structure problem. Yet, for its practicality, the main challenge to overcome is improving the quantum…

Quantum Physics · Physics 2023-05-11 Seonghoon Choi , Artur F. Izmaylov

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for preparing ground states in the current era of noisy devices. The classical component of the algorithm requires a large number of measurements on…

Quantum Physics · Physics 2025-03-27 Akib Karim , Shaobo Zhang , Muhammad Usman

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

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…

Quantum Physics · Physics 2026-01-27 Huili Zhang , Yibin Guo , Guanglei Xu , Yulong Feng , Jingning Zhang , Hai-feng Yu , S. P. Zhao

Calculations of molecular spectral properties, like photodissociation rates and absorption bands, rely on knowledge of the excited state energies of the molecule of interest. Protocols based on the variational quantum eigensolver (VQE) are…

Quantum Physics · Physics 2021-10-19 Yordan S. Yordanov , Crispin H. W. Barnes , David R. M. Arvidsson-Shukur

Variational quantum eigensolver (VQE) is an efficient classical-quantum hybrid method to take advantage of quantum computers in the Noisy Intermediate-Scale Quantum (NISQ) era. In this work we test the performance of VQE by studying the…

Strongly Correlated Electrons · Physics 2023-06-09 Yuheng Guo , Mingpu Qin