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We analyze the preservation properties of a family of reversible splitting methods when they are applied to the numerical time integration of linear differential equations defined in the unitary group. The schemes involve complex…

Numerical Analysis · Mathematics 2023-06-01 Joackim Bernier , Sergio Blanes , Fernando Casas , Alejandro Escorihuela-Tomàs

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

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

Splitting methods constitute a widely used class of numerical integrators for ordinary and partial differential equations, particularly well suited to problems that can be decomposed into simpler subproblems. High-order splitting schemes…

Numerical Analysis · Mathematics 2026-04-02 Fernando Casas , Ander Murua

Most numerical methods for time integration use real-valued time steps. Complex time steps, however, can provide an additional degree of freedom, as we can select the magnitude of the time step in both the real and imaginary directions. We…

Numerical Analysis · Mathematics 2026-01-13 Jithin D. George , Julian Koellermeier , Samuel Y. Jung , Niall M. Mangan

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

Splitting methods for the numerical integration of differential equations of order greater than two involve necessarily negative coefficients. This order barrier can be overcome by considering complex coefficients with positive real part.…

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

This overview is devoted to splitting methods, a class of numerical integrators intended for differential equations that can be subdivided into different problems easier to solve than the original system. Closely connected with this class…

Numerical Analysis · Mathematics 2024-05-08 Sergio Blanes , Fernando Casas , Ander Murua

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

By recursively solving the underlying Schr\" odinger equation, we set up an efficient systematic approach for deriving analytic expressions for discretized effective actions. With this we obtain discrete short-time propagators for both one…

Statistical Mechanics · Physics 2011-08-08 Antun Balaz , Aleksandar Bogojevic , Ivana Vidanovic , Axel Pelster

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

The purpose of this document is to describe the solution and implementation of the time-independent and time-dependent Schr\"odinger using pseudospectral methods. Currently, the description is for single particle systems interacting with a…

Quantum Physics · Physics 2024-04-08 Håkon Kristiansen , Einar Aurbakken

The Schr\"odinger eigenvalue problem is solved with the imaginary time propagation technique. The separability of the Hamiltonian makes the problem suitable for the application of splitting methods. High order fractional time steps of order…

Numerical Analysis · Mathematics 2015-06-15 Philipp Bader , Sergio Blanes , Fernando Casas

This contribution is dedicated to the exploration of exponential operator splitting methods for the time integration of evolution equations. It entails the review of previous achievements as well as the depiction of novel results. The…

Numerical Analysis · Mathematics 2024-10-18 Sergio Blanes , Fernando Casas , Cesareo Gonzalez , Mechthild Thalhammer

This work considers numerical methods for the time-dependent Schr\"{o}dinger equation of incommensurate systems. By using a plane wave method for spatial discretization, the incommensurate problem is lifted to a higher dimension that…

Computational Physics · Physics 2021-03-30 Ting Wang , Huajie Chen , Aihui Zhou , Yuzhi Zhou

Coupled nonlinear Schr\"odinger equations model various physical phenomena, such as wave propagation in nonlinear optics, multi-component Bose-Einstein condensates, and shallow water waves. Despite their extensive applications, analytical…

Numerical Analysis · Mathematics 2024-07-29 Nate Lovett , Harish Bhatt

This article deals with the numerical integration in time of nonlinear Schr\"odinger equations. The main application is the numerical simulation of rotating Bose-Einstein condensates. The authors perform a change of unknown so that the…

Analysis of PDEs · Mathematics 2017-01-31 Christophe Besse , Guillaume Dujardin , Ingrid Lacroix-Violet

This article is devoted to the construction of numerical methods which remain insensitive to the smallness of the semiclassical parameter for the linear Schr{\"o}dinger equation in the semiclassical limit. We specifically analyse the…

Analysis of PDEs · Mathematics 2018-10-15 Philippe Chartier , Loïc Le Treust , Florian Méhats

We analyse a splitting integrator for the time discretization of the Schr\"odinger equation with nonlocal interaction cubic nonlinearity and white noise dispersion. We prove that this time integrator has order of convergence one in the…

Numerical Analysis · Mathematics 2020-11-03 Charles-Edouard Bréhier , David Cohen

We consider the nonlinear Schr\"odinger equation with dispersion modulated by a (formal) derivative of a time-dependent function with fractional Sobolev regularity of class $W^{\alpha,2}$ for some $\alpha\in (0,1)$. Due to the loss of…

Numerical Analysis · Mathematics 2018-11-05 Martina Hofmanová , Marvin Knöller , Katharina Schratz
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