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A variational formulation of accelerated optimization on normed spaces was recently introduced by considering a specific family of time-dependent Bregman Lagrangian and Hamiltonian systems whose corresponding trajectories converge to the…

Optimization and Control · Mathematics 2022-01-11 Valentin Duruisseaux , Melvin Leok

We build an efficient and unitary (hence stable) method for the solution of the semi-classical Schr\"odinger equation subject with explicitly time-dependent potentials. The method is based on a combination of the Zassenhaus decomposition…

Numerical Analysis · Mathematics 2016-02-12 Philipp Bader , Arieh Iserles , Karolina Kropielnicka , Pranav Singh

In recent years, two important techniques for geometric numerical discretization have been developed. In computational electromagnetics, spatial discretization has been improved by the use of mixed finite elements and discrete differential…

Numerical Analysis · Mathematics 2008-07-19 Ari Stern , Yiying Tong , Mathieu Desbrun , Jerrold E. Marsden

In this work, the benefits of the phase fitting technique are embedded in high order discrete Lagrangian integrators. The proposed methodology creates integrators with zero phase lag in a test Lagrangian in a similar way used in phase…

Instrumentation and Methods for Astrophysics · Physics 2009-04-02 O. T. Kosmas , D. S. Vlachos

Strongly interacting electrons in solids are generically described by Hubbardtype models, and the impact of solar light can be modeled by an additional time-dependence. This yields a finite dimensional system of ordinary differential…

This paper deals with the application of probabilistic time integration methods to semi-explicit partial differential-algebraic equations of parabolic type and its semi-discrete counterparts, namely semi-explicit differential-algebraic…

Numerical Analysis · Mathematics 2024-12-02 R. Altmann , A. Moradi

With growing demand for time-domain simulations of correlated many-body systems, the development of efficient and stable integration schemes for the time-dependent Schr\"odinger equation is of keen interest in modern electronic structure…

Chemical Physics · Physics 2023-08-22 David B. Williams-Young , Stephen Yuwono , A. Eugene DePrince , Chao Yang

A method for time-reversible numerical integration of the deterministic Landau-Lifshitz Gilbert equation by means of a second order Suzuki-Trotter decomposition is presented and tested against commonly used second order predictor-corrector…

We propose an efficient algorithmic framework for time domain circuit simulation using exponential integrator. This work addresses several critical issues exposed by previous matrix exponential based circuit simulation research, and makes…

Computational Engineering, Finance, and Science · Computer Science 2016-11-17 Hao Zhuang , Wenjian Yu , Ilgweon Kang , Xinan Wang , Chung-Kuan Cheng

The explicit split-operator algorithm is often used for solving the linear and nonlinear time-dependent Schr\"{o}dinger equations. However, when applied to certain nonlinear time-dependent Schr\"{o}dinger equations, this algorithm loses…

Chemical Physics · Physics 2024-09-26 Julien Roulet , Jiří Vaníček

The goal of this paper is to develop energy-preserving variational integrators for time-dependent mechanical systems with forcing. We first present the Lagrange-d'Alembert principle in the extended Lagrangian mechanics framework and derive…

Numerical Analysis · Mathematics 2018-05-23 Harsh Sharma , Mayuresh Patil , Craig Woolsey

In this paper, we propose a numerical method to approximate the solution of the time-dependent Schr\"odinger equation with periodic boundary condition in a high-dimensional setting. We discretize space by using the Fourier pseudo-spectral…

Numerical Analysis · Mathematics 2019-05-20 Yuya Suzuki , Dirk Nuyens

In this paper, we propose an efficient exponential integrator finite element method for solving a class of semilinear parabolic equations in rectangular domains. The proposed method first performs the spatial discretization of the model…

Numerical Analysis · Mathematics 2022-09-27 Jianguo Huang , Lili Ju , Yuejin Xu

A typical procedure to integrate numerically the time dependent Schr\"o\-din\-ger equation involves two stages. In the first one carries out a space discretization of the continuous problem. This results in the linear system of differential…

Numerical Analysis · Mathematics 2015-04-10 Sergio Blanes , Fernando Casas , Ander Murua

A variational framework for accelerated optimization was recently introduced on normed vector spaces and Riemannian manifolds in Wibisono et al. (2016) and Duruisseaux and Leok (2021). It was observed that a careful combination of…

Optimization and Control · Mathematics 2023-05-16 Valentin Duruisseaux , Melvin Leok

The numerical simulation of the time-dependent Schr\"odinger equation for quantum systems is a very active research topic. Yet, resolving the solution sufficiently in space and time is challenging and mandates the use of modern…

Numerical Analysis · Mathematics 2020-06-11 Hannah Rittich , Robert Speck

We compare exponential-type integrators for the numerical time-propagation of the equations of motion arising in the multi-configuration time-dependent Hartree-Fock method for the approximation of the high-dimensional multi-particle…

Numerical Analysis · Mathematics 2019-05-15 Winfried Auzinger , Alexander Grosz , Harald Hofstätter , Othmar Koch

The machine learning explosion has created a prominent trend in modern computer hardware towards low precision floating-point operations. In response, there have been growing efforts to use low and mixed precision in general scientific…

Numerical Analysis · Mathematics 2024-03-19 Cody J. Balos , Steven Roberts , David J. Gardner

In the present paper we consider numerical methods to solve the discrete Schr\"odinger equation with a time dependent Hamiltonian (motivated by problems encountered in the study of spin systems). We will consider both short-range…

Computational Physics · Physics 2018-08-14 N. Auer , L. Einkemmer , P. Kandolf , A. Ostermann

By implementing the exact density matrix for the rotating anisotropic harmonic trap, we derive a class of very fast and accurate fourth order algorithms for evolving the Gross-Pitaevskii equation in imaginary time. Such fourth order…

Statistical Mechanics · Physics 2016-08-31 Siu A. Chin , Eckhard Krotscheck