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The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate that such algorithms can be applied to problems of chemical…

Quantum Physics · Physics 2007-05-23 Alán Aspuru-Guzik , Anthony D. Dutoi , Peter J. Love , Martin Head-Gordon

We present a new method for the momentum expansion of Feynman integrals with arbitrary masses and any number of loops and external momenta. By using the parametric representation we derive a generating function for the coefficients of the…

High Energy Physics - Phenomenology · Physics 2009-10-28 O. V. Tarasov

Traditional numerical methods for calculating matrix eigenvalues are prohibitively expensive for high-dimensional problems. Iterative random sparsification methods allow for the estimation of a single dominant eigenvalue at reduced cost by…

Numerical Analysis · Mathematics 2023-10-03 Samuel M. Greene , Robert J. Webber , Timothy C. Berkelbach , Jonathan Weare

The random matrix ensembles are applied to the quantum statistical two-dimensional systems of electrons. The quantum systems are studied using the finite dimensional real, complex and quaternion Hilbert spaces of the eigenfunctions. The…

Statistical Mechanics · Physics 2007-05-23 Maciej M. Duras

In this work, we discuss a new method for calculation of extremal eigenvectors and eigenvalues in systems or regions of parameter space where direct calculation is problematic. This technique relies on the analytic continuation of the power…

Nuclear Theory · Physics 2019-12-04 Dillon K. Frame

This article focuses on the development of scalable and quantum bit-efficient algorithms for computing power functions of random quantum states. Two algorithms, based on Hadamard testing and Gate Set Tomography, are proposed. We provide a…

Quantum Physics · Physics 2023-12-27 Wencheng Zhao , Tingting Chen , Ruyu Yang

The accurate computation of ground and excited states of many-fermion quantum systems is one of the most consequential, contemporary challenges in the physical and computational sciences whose solution stands to benefit significantly from…

Quantum Physics · Physics 2021-02-24 S. E. Smart , D. A. Mazziotti

We propose a numerical method for evaluating eigenvalues and eigenfunctions of Schr\"odinger operators with general confining potentials. The method is selective in the sense that only the eigenvalue closest to a chosen input energy is…

Quantum Physics · Physics 2009-10-28 Carlo Presilla , Ubaldo Tambini

The use of quantum computing to solve a problem in quantum mechanics is illustrated, step by step, by calculating energies and transition amplitudes in a nonrelativistic quark model. The quantum computations feature the use of variational…

Quantum Physics · Physics 2023-01-31 R. M. Woloshyn

An iterative method we previously proposed to compute nuclear strength functions is developed to allow it to accurately calculate properties of individual nuclear states. The approach is based on the quasi-particle-random-phase…

Nuclear Theory · Physics 2015-06-04 B. G. Carlsson , J. Toivanen , A. Pastore

This paper is a continuation of our previous works about coordinate, momentum, dispersion operators and phase space representation of quantum mechanics. It concerns a study on the properties of wavefunctions in the phase space…

We discuss experimental situations that consist of multiple preparation and measurement stages. This leads us to a new approach to quantum mechanics. In particular, we introduce the idea of multi-time quantum states which are the…

Quantum Physics · Physics 2013-05-29 Y. Aharonov , S. Popescu , J. Tollaksen , L. Vaidman

Excited states of many-body quantum systems play a key role in a wide range of physical and chemical phenomena. Unlike ground states, for which many efficient variational techniques exist, there are few ways to systematically construct…

Quantum Physics · Physics 2025-08-04 D. A. Millar , L. W. Anderson , E. Altamura , O. Wallis , M. E. Sahin , J. Crain , S. J. Thomson

In this chapter we are examining several iterative methods for solving nonlinear eigenvalue problems. These arise in variational image-processing, graph partition and classification, nonlinear physics and more. The canonical eigenproblem we…

Numerical Analysis · Mathematics 2020-10-07 Guy Gilboa

Eigenvalue transformations, which include solving time-dependent differential equations as a special case, have a wide range of applications in scientific and engineering computation. While quantum algorithms for singular value…

Quantum Physics · Physics 2024-11-07 Dong An , Andrew M. Childs , Lin Lin , Lexing Ying

This paper deals with the optimization of trial states for the computation of dominant eigenvalues of operators and very large matrices. In addition to preliminary results for the energy spectrum of van der Waals clusters, we review results…

Chemical Physics · Physics 2007-05-23 Vilen Melik-Alaverdian , M. P. Nightingale

Calculating excited states in chemistry is crucial to provide insight into photoinduced molecular behavior beyond the ground state, enabling innovations in spectroscopy, material sciences, and drug design. While several approaches have been…

Quantum Physics · Physics 2025-10-14 Akilan Rajamani , Martin Beseda , Benjamin Lasorne , Bruno Senjean

We adapt the robust phase estimation algorithm to the evaluation of energy differences between two eigenstates using a quantum computer. This approach does not require controlled unitaries between auxiliary and system registers or even a…

Quantum Physics · Physics 2021-06-02 A. E. Russo , K. M. Rudinger , B. C. A. Morrison , A. D. Baczewski

We estimate the condition number of a matrix by applying the Power Method, that is essentially a sequence of matrix-by-vector multiplications, similarly to the Lanczos method.

Numerical Analysis · Mathematics 2018-02-06 Victor Y. Pan

The root estimator of quantum states based on the expansion of the psi function in terms of system eigenfunctions followed by estimating the expansion coefficients by the maximum likelihood method is considered. In order to provide…

Quantum Physics · Physics 2007-05-23 Yu. I. Bogdanov