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Adiabatic quantum computation (AQC), which is particularly useful for combinatorial optimization, becomes more powerful by using excited states, instead of ground states. However, the excited-state AQC is prone to errors due to dissipation.…

Quantum Physics · Physics 2020-12-22 Hayato Goto , Taro Kanao

The accurate quantum chemical calculation of excited states is a challenging task, often requiring computationally demanding methods. When entire ground and excited potential energy surfaces (PESs) are desired, e.g., to predict the…

Chemical Physics · Physics 2025-03-26 Zeno Schätzle , P. Bernát Szabó , Alice Cuzzocrea , Frank Noé

We explore a non-variational quantum state preparation approach combined with the ADAPT operator selection strategy in the application of preparing the ground state of a desired target Hamiltonian. In this algorithm, energy gradient…

Quantum annealing (QA) is one of the ways to search the ground state of the problem Hamiltonian. Here, we propose the QA scheme to search arbitrary excited states of the problem Hamiltonian. In our scheme, an $n$-th excited state of the…

Quantum Physics · Physics 2021-04-21 Yuya Seki , Yuichiro Matsuzaki , Shiro Kawabata

Variational-Quantum-Eigensolver (VQE) method has been known as the method of chemical calculation using quantum computers and classical computers. This method also can derive the energy levels of excited states by…

Quantum Physics · Physics 2021-09-07 Hikaru Wakaura , Takao Tomono

Variational quantum eigensolver (VQE) is an appealing candidate for the application of near-term quantum computers. A technique introduced in [Higgot et al., Quantum 3, 156 (2019)], which is named variational quantum deflation (VQD), has…

Feedback-based quantum algorithms have recently emerged as potential methods for approximating the ground states of Hamiltonians. One such algorithm, the feedback-based algorithm for quantum optimization (FALQON), is specifically designed…

Quantum Physics · Physics 2025-08-18 Salahuddin Abdul Rahman , Özkan Karabacak , Rafal Wisniewski

Many-body techniques based on the double unitary coupled cluster ansatz (DUCC) can be used to downfold electronic Hamiltonians into low-dimensional active spaces. It can be shown that the resulting dimensionality reduced Hamiltonians are…

Quantum Physics · Physics 2020-01-29 Nicholas P. Bauman , Guang Hao Low , Karol Kowalski

Estimation of physical observables for unknown quantum states is an important problem that underlies a wide range of fields, including quantum information processing, quantum physics, and quantum chemistry. In the context of quantum…

Quantum Physics · Physics 2024-05-21 Yuma Nakamura , Yoshichika Yano , Nobuyuki Yoshioka

The computation of excited states in strongly interacting quantum many-body systems is of fundamental importance. Yet, it is notoriously challenging due to the exponential scaling of the Hilbert space dimension with the system size. Here,…

Quantum Physics · Physics 2025-06-11 Yixuan Ma , Chang Liu , Weikang Li , Shun-Yao Zhang , L. -M. Duan , Yukai Wu , Dong-Ling Deng

We propose a general-purpose quantum algorithm for preparing ground states of quantum Hamiltonians from a given trial state. The algorithm is based on techniques recently developed in the context of solving the quantum linear systems…

Quantum Physics · Physics 2018-02-05 Yimin Ge , Jordi Tura , J. Ignacio Cirac

We introduce a framework for the calculation of ground and excited state energies of bosonic systems suitable for near-term quantum devices and apply it to molecular vibrational anharmonic Hamiltonians. Our method supports generic reference…

Quantum Physics · Physics 2020-06-24 Pauline J. Ollitrault , Alberto Baiardi , Markus Reiher , Ivano Tavernelli

The efficient calculation of Hamiltonian spectra, a problem often intractable on classical machines, can find application in many fields, from physics to chemistry. Here, we introduce the concept of an "eigenstate witness" and through it…

Preparation of Gibbs distributions is an important task for quantum computation. It is a necessary first step in some types of quantum simulations and further is essential for quantum algorithms such as quantum Boltzmann training. Despite…

Quantum Physics · Physics 2020-02-04 Anirban N. Chowdhury , Guang Hao Low , Nathan Wiebe

Ground state counting plays an important role in several applications in science and engineering, from estimating residual entropy in physical systems, to bounding engineering reliability and solving combinatorial counting problems. While…

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

We propose a hybrid quantum-classical algorithm to compute approximate solutions of binary combinatorial problems. We employ a shallow-depth quantum circuit to implement a unitary and Hermitian operator that block-encodes the weighted…

Quantum Physics · Physics 2023-06-16 Natacha Kuete Meli , Florian Mannel , Jan Lellmann

Many prominent quantum computing algorithms with applications in fields such as chemistry and materials science require a large number of measurements, which represents an important roadblock for future real-world use cases. We introduce a…

The task of estimating the ground state of Hamiltonians is an important problem in physics with numerous applications ranging from solid-state physics to combinatorial optimization. We provide a hybrid quantum-classical algorithm for…

Quantum Physics · Physics 2022-02-28 Kishor Bharti , Tobias Haug

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
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