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We introduce a quantum algorithm to efficiently prepare states with a small energy variance at the target energy. We achieve it by filtering a product state at the given energy with a Lorentzian filter of width $\delta$. Given a local…

Quantum Physics · Physics 2024-07-03 Reinis Irmejs , Mari Carmen Bañuls , J. Ignacio Cirac

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

Finding a good approximation of the top eigenvector of a given $d\times d$ matrix $A$ is a basic and important computational problem, with many applications. We give two different quantum algorithms that, given query access to the entries…

Quantum Physics · Physics 2024-11-15 Yanlin Chen , András Gilyén , Ronald de Wolf

We show that by working in a basis similar to that of the natural transition orbitals and using a modified zeroth order Hamiltonian, the cost of a recently-introduced perturbative correction to excited state mean field theory can be reduced…

Chemical Physics · Physics 2020-09-03 Rachel Clune , Jacqueline A. R. Shea , Eric Neuscamman

For any local Hamiltonian H, I construct a local CPT map and stopping condition which converges to the ground state subspace of H. Like any ground state preparation algorithm, this algorithm necessarily has exponential run-time in general…

Quantum Physics · Physics 2023-09-25 Toby S. Cubitt

Recently, feedback-based quantum algorithms have been introduced to calculate the ground states of Hamiltonians, inspired by quantum Lyapunov control theory. This paper aims to generalize these algorithms to the problem of calculating an…

Quantum Physics · Physics 2026-01-21 Salahuddin Abdul Rahman , Özkan Karabacak , Rafal Wisniewski

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

We present a complete prescription for the numerical calculation of surface Green's functions and self-energies of semi-infinite quasi-onedimensional systems. Our work extends the results of Sanvito et al. [1] generating a robust algorithm…

Materials Science · Physics 2007-12-11 Ivan Rungger , Stefano Sanvito

The local Hamiltonian problem consists of estimating the ground-state energy (given by the minimum eigenvalue) of a local quantum Hamiltonian. First, we show the existence of a good product-state approximation for the ground-state energy of…

Quantum Physics · Physics 2016-02-04 Fernando G. S. L. Brandão , Aram W. Harrow

Variational algorithms have particular relevance for near-term quantum computers but require non-trivial parameter optimisations. Here we propose Analytic Descent: Given that the energy landscape must have a certain simple form in the local…

Quantum Physics · Physics 2022-05-16 Bálint Koczor , Simon C. Benjamin

We develop a new method to calculate eigenvalues in frustrated quantum spin models. It is based on the stochastic state selection (SSS) method, which is an unconventional Monte Carlo technique we have investigated in recent years. We…

Statistical Mechanics · Physics 2015-06-25 Tomo Munehisa , Yasuko Munehisa

Quantum optimization algorithms offer a promising route to finding the ground states of target Hamiltonians on near-term quantum devices. None the less, it remains necessary to limit the evolution time and circuit depth as much as possible,…

Quantum Physics · Physics 2022-11-01 Chenfeng Cao , Yunlong Yu , Zipeng Wu , Nic Shannon , Bei Zeng , Robert Joynt

We propose a state-specific orbital optimization scheme for improving the accuracy of excited states of the electronic structure Hamiltonian for the use on near-term quantum computers, which can be combined with any overlap-based…

Quantum Physics · Physics 2025-10-16 Guorui Zhu , Joel Bierman , Jianfeng Lu , Yingzhou Li

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

The efficient simulation of quantum dynamics and ground states is a central challenge in physics and a key frontier for quantum advantage. While short-time evolution in one-dimensional systems can often be simulated classically, extending…

Quantum Physics · Physics 2025-09-22 Yusen Wu , Yukun Zhang , Chuan Wang , Xiao Yuan

Artificial neural networks have been recently introduced as a general ansatz to compactly represent many- body wave functions. In conjunction with Variational Monte Carlo, this ansatz has been applied to find Hamil- tonian ground states and…

Strongly Correlated Electrons · Physics 2018-10-24 Kenny Choo , Giuseppe Carleo , Nicolas Regnault , Titus Neupert

Developing efficient quantum computing algorithms is essential for tackling computationally challenging problems across various fields. This paper presents a novel quantum algorithm, XZ24, for efficiently computing the eigen-energy spectra…

Quantum Physics · Physics 2024-09-30 Qing-Xing Xie , Yan Zhao

We consider a computational problem where the goal is to approximate the maximum eigenvalue of a two-local Hamiltonian that describes Heisenberg interactions between qubits located at the vertices of a graph. Previous work has shed light on…

Quantum Physics · Physics 2020-06-11 Anurag Anshu , David Gosset , Karen Morenz

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 numerically investigate quantum circuit elementary-gate level instantiations of the standard Quantum Phase Estimation (QPE) algorithm for the task of computing the ground-state energy of a quantum magnet; the disordered fully-connected…

Quantum Physics · Physics 2026-03-02 Elijah Pelofske , Stephan Eidenbenz