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Schr\"odinger equations with time-dependent potentials are of central importance in quantum physics and theoretical chemistry, where they aid in the simulation and design of systems and processes at atomic scales. Numerical approximation of…

Numerical Analysis · Mathematics 2018-06-04 Arieh Iserles , Karolina Kropielnicka , Pranav Singh

We introduce a new numerical method for solving time-harmonic acoustic scattering problems. The main focus is on plane waves scattered by smoothly varying material inhomogeneities. The proposed method works for any frequency $\omega$, but…

Numerical Analysis · Mathematics 2022-01-14 Anton Arnold , Sjoerd Geevers , Ilaria Perugia , Dmitry Ponomarev

Computing accurate periodic responses in strongly nonlinear or even non-smooth vibration systems remains a fundamental challenge in nonlinear dynamics. Existing numerical methods, such as the Harmonic Balance Method (HBM) and the Shooting…

Numerical Analysis · Mathematics 2025-10-28 Limin Cao , Yanmao Chen , Li Wang , Loic Salles , Zechang Zheng

In this work, we develop a highly efficient representation of functions and differential operators based on Fourier analysis. Using this representation, we create a variational hybrid quantum algorithm to solve static, Schr\"odinger-type,…

We introduce a numerical method for the solution of the time-dependent Schrodinger equation with a smooth potential, based on its reformulation as a Volterra integral equation. We present versions of the method both for periodic boundary…

Numerical Analysis · Mathematics 2021-08-03 Jason Kaye , Alex Barnett , Leslie Greengard

This work addresses a central challenge in the numerical analysis of the cutoff spatially homogeneous Boltzmann equation: the development of rigorously justified, accurate numerical schemes. We present (i) a novel Fourier spectral method…

Numerical Analysis · Mathematics 2026-03-30 Yanzhi Gui , Ling-Bing He , Liu Liu

Standard numerical integrators suffer from an order reduction when applied to nonlinear Schr\"{o}dinger equations with low-regularity initial data. For example, standard Strang splitting requires the boundedness of the solution in $H^{r+4}$…

Numerical Analysis · Mathematics 2019-06-04 Marvin Knöller , Alexander Ostermann , Katharina Schratz

In this paper, we derive a variational integrator for certain highly oscillatory problems in mechanics. To do this, we take a new approach to the splitting of fast and slow potential forces: rather than splitting these forces at the level…

Numerical Analysis · Mathematics 2009-08-03 Ari Stern , Eitan Grinspun

We show that the method of splitting the operator ${\rm e}^{\epsilon(T+V)}$ to fourth order with purely positive coefficients produces excellent algorithms for solving the time-dependent Schr\"odinger equation. These algorithms require…

Computational Physics · Physics 2015-06-26 Siu A. Chin , C. -R. Chen

In this paper we introduce an alternative approach to studying the evolution of a quantum harmonic oscillator subject to an arbitrary time dependent force. With the purpose of finding the evolution operator, certain unitary transformations…

We explore the applicability of splitting methods involving complex coefficients to solve numerically the time-dependent Schr\"odinger equation. We prove that a particular class of integrators are conjugate to unitary methods for…

Numerical Analysis · Mathematics 2021-09-16 S. Blanes , F. Casas , A. Escorihuela-Tomàs

Solving the electronic structure problem via unitary evolution of the electronic Hamiltonian is one of the promising applications of digital quantum computers. One of the practical strategies to implement the unitary evolution is via…

Quantum Physics · Physics 2023-08-23 Luis A. Martínez-Martínez , Tzu-Ching Yen , Artur F. Izmaylov

An error analysis of a splitting method applied to the Zakharov system is given. The numerical method is a Lie-Trotter splitting in time that is combined with a Fourier collocation in space to a fully discrete method. First-order…

Numerical Analysis · Mathematics 2017-12-21 Ludwig Gauckler

We prove an error estimate for a Lie-Trotter splitting operator associated to the Schrodinger-Poisson equation in the semiclassical regime, when the WKB approximation is valid. In finite time, and so long as the solution to a compressible…

Numerical Analysis · Mathematics 2013-12-23 Rémi Carles

We derive a formalism, the separation method, for the efficient and accurate calculation of two-body matrix elements for a Gaussian potential in the cylindrical harmonic-oscillator basis. This formalism is of critical importance for…

Nuclear Theory · Physics 2010-11-02 W. Younes

A variationally improved Sturmian approximation for solving time-independent Schr\"odinger equation is developed. This approximation is used to obtain the energy levels of a quartic anharmonic oscillator, a quartic potential, and a Gaussian…

Quantum Physics · Physics 2009-11-07 Ali Mostafazadeh

Computing solutions to partial differential equations using the fast Fourier transform can lead to unwanted oscillatory behavior. Due to the periodic nature of the discrete Fourier transform, waves that leave the computational domain on one…

Numerical Analysis · Mathematics 2023-01-18 Anne Liu , Thomas Trogdon

We describe a spectral method for the numerical solution of the Vlasov-Poisson system where the velocity space is decomposed by means of an Hermite basis, and the configuration space is discretized via a Fourier decomposition. The novelty…

Plasma Physics · Physics 2013-12-19 E. Camporeale , G. L. Delzanno , B. K. Bergen , J. D. Moulton

An efficient geometric integrator is proposed for solving the perturbed Kepler motion. This method is stable and accurate over long integration time, which makes it appropriate for treating problems in astrophysics, like solar system…

Computational Physics · Physics 2009-11-13 G. S. Balaraman , D. Vrinceanu

We consider the numerical integration of non-autonomous separable parabolic equations using high order splitting methods with complex coefficients (methods with real coefficients of order greater than two necessarily have negative…

Numerical Analysis · Mathematics 2014-05-20 Muaz Seydaoğlu , Sergio Blanes