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The explicit split-operator algorithm has been extensively used for solving not only linear but also nonlinear time-dependent Schr\"{o}dinger equations. When applied to the nonlinear Gross-Pitaevskii equation, the method remains…

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

Geometric integrators of the Schr\"{o}dinger equation conserve exactly many invariants of the exact solution. Among these integrators, the split-operator algorithm is explicit and easy to implement, but, unfortunately, is restricted to…

Chemical Physics · Physics 2024-09-26 Seonghoon Choi , Jiří Vaníček

We present a practical algorithm based on symplectic splitting methods to integrate numerically in time the Schr\"odinger equation. When discretized in space, the Schr\"odinger equation can be recast as a classical Hamiltonian system…

Numerical Analysis · Mathematics 2015-02-24 S. Blanes , F. Casas , A. Murua

The long-time behaviour of splitting integrators applied to nonlinear Schr\"odinger equations in a weakly nonlinear setting is studied. It is proven that the energy is nearly conserved on long time intervals. The analysis includes all…

Numerical Analysis · Mathematics 2018-03-01 Ludwig Gauckler

In approximating solutions of nonstationary problems, various approaches are used to compute the solution at a new time level from a number of simpler (sub-)problems. Among these approaches are splitting methods. Standard splitting schemes…

Numerical Analysis · Mathematics 2020-08-20 Yalchin Efendiev , Petr N. Vabishchevich

The splitting method is a powerful method for solving partial differential equations. Various splitting methods have been designed to separate different physics, nonlinearities, and so on. Recently, a new splitting approach has been…

Numerical Analysis · Mathematics 2023-03-22 Yalchin Efendiev , Wing Tat Leung , Wenyuan Li , Zecheng Zhang

A global solution of the Schr\"odinger equation for explicitly time-dependent Hamiltonians is derived by integrating the non-linear differential equation associated with the time-dependent wave operator. A fast iterative solution method is…

Quantum Physics · Physics 2015-05-18 Arnaud Leclerc , Georges Jolicard

In this paper, we study temporal splitting algorithms for multiscale problems. The exact fine-grid spatial problems typically require some reduction in degrees of freedom. Multiscale algorithms are designed to represent the fine-scale…

Numerical Analysis · Mathematics 2021-06-02 Yalchin Efendiev , Sai-Mang Pun , Petr N. Vabishchevich

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

The numerical approximation of low-regularity solutions to the nonlinear Schr\"odinger equation is notoriously difficult and even more so if structure-preserving schemes are sought. Recent works have been successful in establishing…

Numerical Analysis · Mathematics 2025-04-23 Yue Feng , Georg Maierhofer , Chushan Wang

While symplectic integration methods based on operator splitting are well established in many branches of science, high order methods for Hamiltonian systems that split in more than two parts have not been studied in great detail. Here, we…

Computational Physics · Physics 2015-06-15 Ch. Skokos , E. Gerlach , J. D. Bodyfelt , G. Papamikos , S. Eggl

One of the most accurate methods for solving the time-dependent Schr\"{o}dinger equation uses a combination of the dynamic Fourier method with the split-operator algorithm on a tensor-product grid. To reduce the number of required grid…

Quantum Physics · Physics 2019-12-17 Seonghoon Choi , Jiří Vaníček

The present work provides a comprehensive study of symmetric-conjugate operator splitting methods in the context of linear parabolic problems and demonstrates their additional benefits compared to symmetric splitting methods. Relevant…

Numerical Analysis · Mathematics 2024-01-10 Sergio Blanes , Fernando Casas , Cesáreo González , Mechthild Thalhammer

We present an algorithm for the rapid numerical integration of smooth, time-periodic differential equations with small nonlinearity, particularly suited to problems with small dissipation. The emphasis is on speed without compromising…

Numerical Analysis · Mathematics 2015-06-23 Michele V. Bartuccelli , Jonathan H. B. Deane , Guido Gentile

Operator splitting methods tailored to coupled linear port-Hamiltonian systems are developed. We present algorithms that are able to exploit scalar coupling, as well as multirate potential of these coupled systems. The obtained algorithms…

Numerical Analysis · Mathematics 2025-01-14 Jan Lorenz , Tom Zwerschke , Michael Günther , Kevin Schäfers

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

An algorithm for a family of self-starting high-order implicit time integration schemes with controllable numerical dissipation is proposed for both linear and nonlinear transient problems. This work builds on the previous works of the…

Numerical Analysis · Mathematics 2024-09-23 Daniel O'Shea , Xiaoran Zhang , Shayan Mohammadian , Chongmin Song

Exact nonadiabatic quantum evolution preserves many geometric properties of the molecular Hilbert space. In a companion paper [S. Choi and J. Van\'{\i}\v{c}ek, 2019], we presented numerical integrators of arbitrary-order of accuracy that…

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

In this paper, we combine the operator splitting methodology for abstract evolution equations with that of stochastic methods for large-scale optimization problems. The combination results in a randomized splitting scheme, which in a given…

Numerical Analysis · Mathematics 2022-10-12 Monika Eisenmann , Tony Stillfjord

We propose a family of reliable symplectic integrators adapted to the Discrete Non-Linear Schr\"odinger equation; based on an idea of Yoshida (H. Yoshida, Construction of higher order symplectic integrators, Physics Letters A, 150, 5,6,7,…

Pattern Formation and Solitons · Physics 2010-12-16 Jehan Boreux , Timoteo Carletti , Charles Hubaux
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