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Computing quark propagators in lattice QCD is equivalent to solving large, sparse linear systems with multiple right-hand sides. Block algorithms attempt to accelerate the convergence of iterative Krylov-subspace methods by solving the…

High Energy Physics - Lattice · Physics 2009-10-30 Stephen M. Pickles , UKQCD Collaboration

We present a variational Monte Carlo algorithm for estimating the lowest excited states of a quantum system which is a natural generalization of the estimation of ground states. The method has no free parameters and requires no explicit…

Computational Physics · Physics 2024-09-04 David Pfau , Simon Axelrod , Halvard Sutterud , Ingrid von Glehn , James S. Spencer

In her seminal 1989 work, Greenbaum demonstrated that the results produced by the finite precision Lanczos algorithm after $k$ iterations can be interpreted as exact Lanczos results applied to a larger matrix, whose eigenvalues lie in small…

Numerical Analysis · Mathematics 2025-07-23 Dorota Šimonová , Petr Tichý

We describe a number of recently developed techniques for improving the performance of large-scale nuclear configuration interaction calculations on high performance parallel computers. We show the benefit of using a preconditioned block…

Numerical Analysis · Computer Science 2017-12-29 Meiyue Shao , Hasan Metin Aktulga , Chao Yang , Esmond G. Ng , Pieter Maris , James P. Vary

A deflated and restarted Lanczos algorithm to solve hermitian linear systems, and at the same time compute eigenvalues and eigenvectors for application to multiple right-hand sides, is described. For the first right-hand side, eigenvectors…

High Energy Physics - Lattice · Physics 2010-01-21 Abdou M. Abdel-Rehim , Ronald B. Morgan , Dywayne Nicely , Walter Wilcox

Computing eigenvalues is a computationally intensive task central to numerous applications in the natural sciences. Toward this end, we investigate the quantum block Krylov subspace projector (QBKSP) algorithm - a multireference quantum…

Quantum Physics · Physics 2025-11-26 Maria Gabriela Jordão Oliveira , Nina Glaser

We show that the standard Lanczos algorithm can be efficiently implemented statistically and self consistently improved, using the stochastic reconfigurat ion method, which has been recently introduced to stabilize the Monte Carlo sign…

Strongly Correlated Electrons · Physics 2009-02-05 S. Sorella

Computing the excited states of a given Hamiltonian is computationally hard for large systems, but methods that do so using quantum computers scale tractably. This problem is equivalent to the PCA problem where we are interested in…

Quantum Physics · Physics 2025-03-19 David Quiroga , Jason Han , Anastasios Kyrillidis

The Hubbard model is a challenging quantum many-body problem and serves as a benchmark for quantum computing research. Accurate computation of its ground and excited state energies is essential for understanding correlated electron systems.…

Quantum Physics · Physics 2025-09-03 Mrinal Dev , Bikash K. Behera , Vivek Vyas , Prasanta K. Panigrahi

Quantum error correction in general is experimentally challenging as it requires significant expansion of the size of quantum circuits and accurate performance of quantum gates to fulfill the error threshold requirement. Here we propose a…

Quantum Physics · Physics 2012-06-04 C. Shen , L. -M. Duan

We design a quantum algorithm for ground state preparation in the early fault tolerant regime. As a Monte Carlo-style quantum algorithm, our method features a Lindbladian where the target state is stationary. The construction of this…

Quantum Physics · Physics 2024-08-27 Zhiyan Ding , Chi-Fang Chen , Lin Lin

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…

With rapid progress being made in the development of platforms for quantum computation, there has been considerable interest in whether present-day and near-term devices can be used to solve problems of relevance. A commonly cited…

Progress in computing the spectrum of excited baryons and mesons in lattice QCD is described. Large sets of spatially-extended hadron operators are used. The need for multi-hadron operators in addition to single-hadron operators is…

High Energy Physics - Lattice · Physics 2011-11-04 John Bulava , Justin Foley , You-Cyuan Jhang , Keisuke J. Juge , David Lenkner , Colin Morningstar , Chik Him Wong

We review a recent approach for the simulation of many-body interacting systems based on an efficient generalization of the Lanczos method for Quantum Monte Carlo simulations. This technique allows to perform systematic corrections to a…

Strongly Correlated Electrons · Physics 2007-05-23 Sandro Sorella

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

The classical formalism of the Moment Problem has been combined with a cumulant approach and applied to the extensive many-body problem. This has yielded many new exact results for many-body systems in the thermodynamic limit - for the…

Statistical Mechanics · Physics 2007-05-23 N. S. Witte

We develop a workflow to use current quantum computing hardware for solving quantum many-body problems, using the example of the fermionic Hubbard model. Concretely, we study a four-site Hubbard ring that exhibits a transition from a…

The quantum mechanical expression relating two commuting operators is reformulated such that the power method (also called method of moments) for iteratively calculating eigenvalues and eigenvectors becomes applicable. The new iterative…

Quantum Physics · Physics 2015-07-22 Wolfgang A. Berger

We introduce a unitary coupled-cluster (UCC) ansatz termed $k$-UpCCGSD that is based on a family of sparse generalized doubles (D) operators which provides an affordable and systematically improvable unitary coupled-cluster wavefunction…

Quantum Physics · Physics 2019-01-07 Joonho Lee , William J. Huggins , Martin Head-Gordon , K. Birgitta Whaley