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Contextuality, one of the strongest forms of quantum correlations, delineates the quantum world and the classical one. It has been shown recently that some quantum models, in the form of infinite one-dimensional translation-invariant…

Quantum Physics · Physics 2025-06-10 Kaiyan Yang , Yanzheng Zhu , Xiao Zeng , Zuoheng Zou , Man-Hong Yung , Zizhu Wang

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

A variety of quantum computing algorithms exist for the preparation of approximate Hamiltonian ground states. A natural and important question is how these ground-state approximations can be further improved using adiabatic state…

The preparation of the ground state of a Hamiltonian $H$ with a large spectral radius has applications in many areas such as electronic structure theory and quantum field theory. Given an initial state with a constant overlap with the…

Quantum Physics · Physics 2024-06-05 Yulong Dong , Lin Lin

We consider the problem of estimating the energy of a quantum state preparation for a given Hamiltonian in Pauli decomposition. For various quantum algorithms, in particular in the context of quantum chemistry, it is crucial to have energy…

Quantum Physics · Physics 2025-08-20 Alexander Gresch , Uğur Tepe , Martin Kliesch

Excited states of molecules lie in the heart of photochemistry and chemical reactions. The recent development in quantum computational chemistry leads to inventions of a variety of algorithms that calculate the excited states of molecules…

Quantum Physics · Physics 2020-11-05 Hiroki Kawai , Yuya O. Nakagawa

Accurate state preparation is a critical bottleneck in many quantum algorithms, particularly those for ground state energy estimation. Even in fault-tolerant quantum computing, preparing a quantum state with sufficient overlap to the…

Quantum Physics · Physics 2025-10-07 Gwonhak Lee , Minhyeok Kang , Jungsoo Hong , Stepan Fomichev , Joonsuk Huh

A quantum eigensolver is designed under a multi-layer cluster mean-field (CMF) algorithm by partitioning a quantum system into spatially-separated clusters. For each cluster, a reduced Hamiltonian is obtained after a partial average over…

We propose a quantum-classical hybrid variational algorithm, the quantum orbital minimization method (qOMM), for obtaining the ground state and low-lying excited states of a Hermitian operator. Given parameterized ansatz circuits…

Chemical Physics · Physics 2022-06-14 Joel Bierman , Yingzhou Li , Jianfeng Lu

We discuss classical algorithms for approximating the largest eigenvalue of quantum spin and fermionic Hamiltonians based on semidefinite programming relaxation methods. First, we consider traceless $2$-local Hamiltonians $H$ describing a…

Quantum Physics · Physics 2019-10-08 Sergey Bravyi , David Gosset , Robert Koenig , Kristan Temme

Quantum algorithms for estimating the eigenvalues of matrices, including the phase estimation algorithm, serve as core subroutines in a wide range of quantum algorithms, including those in quantum chemistry and quantum machine learning. The…

Quantum Physics · Physics 2025-09-03 Abhijeet Alase , Salini Karuvade

The stabilizer ground state is defined is the lowest energy stabilizer state with respect to a given Hamiltonian. In many cases it is highly degenerate and does not give a unique stabilizer state. We define the optimal stabilizer ground…

Quantum Physics · Physics 2026-03-09 Yuping Mao , Chang Chen , Jiaxing Feng , Yimeng Mao , Tim Byrnes

We present two techniques that can greatly reduce the number of gates required to realize an energy measurement, with application to ground state preparation in quantum simulations. The first technique realizes that to prepare the ground…

Quantum Physics · Physics 2018-08-28 David Poulin , Alexei Kitaev , Damian S. Steiger , Matthew B. Hastings , Matthias Troyer

We present an efficient method to prepare states of a many-body system on quantum hardware, first isolating individual quantum numbers and then using time evolution to isolate the energy. Our method in its simplest form requires only one…

Quantum Physics · Physics 2023-10-03 I. Stetcu , A. Baroni , J. Carlson

Quantum dynamics can be analyzed via the structure of energy eigenstates. However, in the many-body setting, preparing eigenstates associated with finite temperatures requires time scaling exponentially with system size. In this work we…

Quantum Physics · Physics 2024-07-11 Samuel J. Garratt , Soonwon Choi

Realisation of experiments even on small and medium-scale quantum computers requires an optimisation of several parameters to achieve high-fidelity operations. As the size of the quantum register increases, the characterisation of quantum…

Quantum Physics · Physics 2020-08-11 F. Martínez-García , D. Vodola , M. Müller

Simulating electron-phonon interactions on quantum computers remains challenging, with most algorithmic effort focused on Hamiltonian simulation and circuit optimization. In this work, we study the single-electron Holstein model and propose…

Quantum Physics · Physics 2025-12-19 Arnab Adhikary , S. E. Skelton , Alberto Nocera , Mona Berciu

The ground state energy and the free energy of Quantum Local Hamiltonians are fundamental quantities in quantum many-body physics, however, it is QMA-Hard to estimate them in general. In this paper, we develop new techniques to find…

Quantum Physics · Physics 2023-08-08 Thiago Bergamaschi

Quantum simulation of complex quantum systems and their properties often requires the ability to prepare initial states in an eigenstate of the Hamiltonian to be simulated. In addition, to compute the eigenvalues of a Hamiltonian is in…

Quantum Physics · Physics 2020-05-21 Jing-Ning Zhang , Iñigo Arrazola , Jorge Casanova , Lucas Lamata , Kihwan Kim , Enrique Solano

It is believed that one of the first useful applications for a quantum computer will be the preparation of groundstates of molecular Hamiltonians. A crucial task involving state preparation and readout is obtaining physical observables of…

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