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Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…

The calculation of excited state energies of electronic structure Hamiltonians has many important applications, such as the calculation of optical spectra and reaction rates. While low-depth quantum algorithms, such as the variational…

Quantum Physics · Physics 2019-07-03 Oscar Higgott , Daochen Wang , Stephen Brierley

Variational algorithms are promising candidates to be implemented on near-term quantum computers. The variational quantum eigensolver (VQE) is a prominent example, where a parametrized trial state of the quantum mechanical wave function is…

Determining quantum excited states is crucial across physics and chemistry but presents significant challenges for variational methods, primarily due to the need to enforce orthogonality to lower-energy states, often requiring…

Quantum Physics · Physics 2025-05-01 Shi-Xin Zhang , Lei Wang

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

I describe a simple algorithm for numerically finding the ground state and low-lying excited states of a quantum system. The algorithm is an adaptation of the relaxation method for solving Poisson's equation, and is fundamentally based on…

Computational Physics · Physics 2017-09-13 Daniel V. Schroeder

Solving non-Hermitian quantum many-body systems on a quantum computer by minimizing the variational energy is challenging as the energy can be complex. Here, based on energy variance, we propose a variational method for solving the…

Quantum Physics · Physics 2024-02-21 Xu-Dan Xie , Zheng-Yuan Xue , Dan-Bo Zhang

Quantum computing opens up new possibilities for the simulation of many-body nuclear systems. As the number of particles in a many-body system increases, the size of the space if the associated Hamiltonian increases exponentially. This…

Quantum Physics · Physics 2022-09-19 Isaac Hobday , Paul Stevenson , James Benstead

Imaginary time evolution is a powerful tool for studying quantum systems. While it is possible to simulate with a classical computer, the time and memory requirements generally scale exponentially with the system size. Conversely, quantum…

Quantum Physics · Physics 2019-09-17 Sam McArdle , Tyson Jones , Suguru Endo , Ying Li , Simon Benjamin , Xiao Yuan

Variational quantum algorithms are emerging as promising candidates for near-term practical applications of quantum information processors, in the field of quantum chemistry. We implement the variational quantum eigensolver algorithm to…

Quantum Physics · Physics 2024-07-02 Dileep Singh , Shashank Mehendale , Arvind , Kavita Dorai

A method is presented in which the ground-state subspace is projected out of a Hamiltonian representation. As a result of this projection, an effective Hamiltonian is constructed where its ground-state coincides with an excited-state of the…

Quantum Physics · Physics 2023-08-14 P. Jouzdani , S. Bringuier , M. Kostuk

We propose an excited-state molecular dynamics simulation method based on variational quantum algorithms at a computational cost comparable to that of ground-state simulations. We utilize the feature that excited states can be obtained as…

Chemical Physics · Physics 2023-03-02 Hirotoshi Hirai

Drawing inspiration from the Lyapunov control technique for quantum systems, feedback-based quantum algorithms have been proposed for calculating the ground states of Hamiltonians. In this work, we consider extending these algorithms to…

Quantum Physics · Physics 2024-07-23 Salahuddin Abdul Rahman , Özkan Karabacak , Rafal Wisniewski

Energy spectroscopy is a powerful tool with diverse applications across various disciplines. The advent of programmable digital quantum simulators opens new possibilities for conducting spectroscopy on various models using a single device.…

One of the most promising applications for near term quantum computers is the simulation of physical quantum systems, particularly many-electron systems in chemistry and condensed matter physics. In solid state physics, finding the correct…

Ground-state preparation for a given Hamiltonian is a common quantum-computing task of great importance and has relevant applications in quantum chemistry, computational material modeling, and combinatorial optimization. We consider an…

Quantum Physics · Physics 2022-10-18 Yu-Qin Chen , Shi-Xin Zhang , Chang-Yu Hsieh , Shengyu Zhang

In open quantum systems, the Liouvillian gap characterizes the relaxation time toward the steady state. However, accurately computing this quantity is notoriously difficult due to the exponential growth of the Hilbert space and the…

Quantum Physics · Physics 2025-07-29 Xu-Dan Xie , Zheng-Yuan Xue , Dan-Bo Zhang

We propose a variational quantum algorithm to study the real time dynamics of quantum systems as a ground-state problem. The method is based on the original proposal of Feynman and Kitaev to encode time into a register of auxiliary qubits.…

Quantum Physics · Physics 2023-02-16 Stefano Barison , Filippo Vicentini , Ignacio Cirac , Giuseppe Carleo

Quantum algorithms for probing ground-state properties of quantum systems require good initial states. Projection-based methods such as eigenvalue filtering rely on inputs that have a significant overlap with the low-energy subspace, which…

Quantum Physics · Physics 2024-04-10 Danial Motlagh , Modjtaba Shokrian Zini , Juan Miguel Arrazola , Nathan Wiebe

Preparing low energy states is a central challenge in quantum computing and quantum complexity theory. Several known approaches to prepare low energy states often get stuck in suboptimal states, such as high energy eigenstates (or low…

Quantum Physics · Physics 2026-03-17 Anurag Anshu
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