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Variational quantum algorithms are one of the most promising methods that can be implemented on noisy intermediate-scale quantum (NISQ) machines to achieve a quantum advantage over classical computers. This article describes the use of a…

Quantum Physics · Physics 2022-05-10 Wei-Bin Ewe , Dax Enshan Koh , Siong Thye Goh , Hong-Son Chu , Ching Eng Png

Models of quantum systems scale exponentially with the addition of single-particle states, which can present computationally intractable problems. Alternatively, quantum computers can store a many-body basis of $2^n$ dimensions on $n$…

Quantum Physics · Physics 2023-09-20 Amanda Bowman

The accurate computation of Hamiltonian ground, excited, and thermal states on quantum computers stands to impact many problems in the physical and computer sciences, from quantum simulation to machine learning. Given the challenges posed…

Energy transmission over long distances by waves is a key mechanism for many natural processes. This possibility arises when an inhomogeneous medium is arranged in such a manner that it enables a certain type of wave to propagate with…

Fluid Dynamics · Physics 2026-05-05 Semyon Churilov

Recent advances in analog and digital quantum-simulation platforms have enabled exploration of the spectrum of entanglement Hamiltonians via variational algorithms. In this work we analyze the convergence properties of the variationally…

Quantum Physics · Physics 2025-05-16 Yanick S. Kind , Benedikt Fauseweh

The Liouville-Lanczos approach to linear-response time-dependent density-functional theory is generalized so as to encompass electron energy-loss and inelastic X-ray scattering spectroscopies in periodic solids. The computation of virtual…

Materials Science · Physics 2015-06-16 Iurii Timrov , Nathalie Vast , Ralph Gebauer , Stefano Baroni

Quantum algorithms can potentially overcome the boundary of computationally hard problems. One of the cornerstones in modern optics is the beam propagation algorithm, facilitating the calculation of how waves with a particular dispersion…

Quantum Physics · Physics 2024-05-08 Chanaprom Cholsuk , Siavash Davani , Lorcan O. Conlon , Tobias Vogl , Falk Eilenberger

An application of an effective numerical algorithm for solving eigenvalue problems which arise in modelling electronic properties of quantum disordered systems is considered. We study the electron states at the localization-delocalization…

Computational Physics · Physics 2009-11-06 Isa Kh. Zharekeshev , Bernhard Kramer

It is demonstrated that the wavelets can be used to considerably speed up simulations of the wave packet propagation in multiscale systems. Extremely high efficiency is obtained in the representation of both bound and continuum states. The…

Computational Physics · Physics 2009-11-07 Andrei G. Borisov , Sergei V. Shabanov

We present a simple method to expedite simulation of quantum wave-packet dynamics by more than a factor of $2$ with the Strang split-operator propagation. Dynamics of quantum wave-packets are often evaluated using the the \emph{Strang}…

Chemical Physics · Physics 2016-03-24 Igal Aharonovich , Avi Pe'er

We propose and develop a general method of numerical calculation of the wave function time evolution in a quantum system which is described by Hamiltonian of an arbitrary dimensionality and with arbitrary interactions. For this, we obtain a…

Atomic Physics · Physics 2014-04-25 Ivan Gonoskov , Mattias Marklund

We relate the probability distribution of the work done on a statistical system under a sudden quench to the Lanczos coefficients corresponding to evolution under the post-quench Hamiltonian. Using the general relation between the moments…

Quantum Physics · Physics 2023-09-19 Kuntal Pal , Kunal Pal , Ankit Gill , Tapobrata Sarkar

We report an implementation of the recursion method that addresses quantum many-body dynamics in the nonperturbative regime. The method essentially amounts to constructing a Lanczos basis in the space of operators and solving coupled…

Strongly Correlated Electrons · Physics 2024-04-11 Filipp Uskov , Oleg Lychkovskiy

The quantum many-body problem lies at the center of the most important open challenges in condensed matter, quantum chemistry, atomic, nuclear, and high-energy physics. While quantum Monte Carlo, when applicable, remains the most powerful…

Strongly Correlated Electrons · Physics 2022-06-30 Hongwei Chen , Douglas Hendry , Phillip Weinberg , Adrian E. Feiguin

Variational quantum algorithms offer a promising new paradigm for solving partial differential equations on near-term quantum computers. Here, we propose a variational quantum algorithm for solving a general evolution equation through…

Quantum Physics · Physics 2022-06-28 Fong Yew Leong , Wei-Bin Ewe , Dax Enshan Koh

We present an algorithm that uses block encoding on a quantum computer to exactly construct a Krylov space, which can be used as the basis for the Lanczos method to estimate extremal eigenvalues of Hamiltonians. While the classical Lanczos…

Quantum Physics · Physics 2023-05-24 William Kirby , Mario Motta , Antonio Mezzacapo

We propose a method to construct the ground state $\psi(\lambda)$ of local lattice hamiltonians with the generic form $H_0 + \lambda H_1$, where $\lambda$ is a coupling constant and $H_0$ is a hamiltonian with a non degenerate ground state…

Condensed Matter · Physics 2009-10-22 J. G. Esteve , Germán Sierra

Numerical linked-cluster expansions allow one to calculate finite-temperature properties of quantum lattice models directly in the thermodynamic limit through exact solutions of small clusters. However, full diagonalization is often the…

Strongly Correlated Electrons · Physics 2019-07-17 Krishnakumar Bhattaram , Ehsan Khatami

The variational quantum eigensolver algorithm has gained attentions due to its capability of locating the ground state and ground energy of a Hamiltonian, which is a fundamental task in many physical and chemical problems. Although it has…

Quantum Physics · Physics 2024-10-07 Trung Huynh , Gwangil An , Minsu Kim , Yu-Seong Jeon , Jinhyoung Lee

The $O(N)$ stochastic propagation method, which relies on the numerical solution of the time-dependent Schr\"odinger equation using random initial states, is widely used in large-scale first-principles calculations. In this work, we…

Computational Physics · Physics 2025-10-22 Zhichang Fu , Yunhai Li , Weiqing Zhou , Shengjun Yuan