Layer-splitting methods for time-dependent Schrödinger equations of incommensurate systems

DOI10.4208/CICP.OA-2021-0070zbMATH Open1482.35188arXiv2103.14897OpenAlexW3211081978MaRDI QIDQ5065155FDOQ5065155

Authors: Ting Wang, Huajie Chen, Aihui Zhou, Yuzhi Zhou 

Publication date: 18 March 2022

Published in: Communications in Computational Physics (Search for Journal in Brave)

Abstract: 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 results in semidiscrete differential equations with extremely demanding computational cost. We propose several fully discrete time stepping schemes based on the idea of "layer-splitting", which decompose the semidiscrete problem into sub-problems that each corresponds to one of the periodic layers. Then these schemes handle only some periodic systems in the original lower dimension at each time step, which reduces the computational cost significantly and is natural to involve stochastic methods and parallel computing. Both theoretical analysis and numerical experiments are provided to support the reliability and efficiency of the algorithms.

Full work available at URL: https://arxiv.org/abs/2103.14897

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zbMATH Keywords

time stepping schemeincommensurate systemtime-dependent Schrödinger equation

Mathematics Subject Classification ID

PDEs in connection with quantum mechanics (35Q40) Time-dependent Schrödinger equations and Dirac equations (35Q41) Stability and convergence of numerical methods for ordinary differential equations (65L20) Numerical methods for initial value problems involving ordinary differential equations (65L05)

Cites Work

• Spectral methods. Algorithms, analysis and applications.
• Geometric Numerical Integration
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• On splitting methods for Schrödinger-Poisson and cubic nonlinear Schrödinger equations
• Order Estimates in Time of Splitting Methods for the Nonlinear Schrödinger Equation
• On the Construction and Comparison of Difference Schemes
• Numerical methods for quasicrystals
• Some application of splitting-up methods to the solution of mathematical physics problems
• Random batch methods (RBM) for interacting particle systems
• Plane wave methods for quantum eigenvalue problems of incommensurate systems
• A high order efficient numerical method for 4-D Wigner equation of quantum double-slit interferences

Cited In (2)

• High-accuracy numerical methods and convergence analysis for Schrödinger equation with incommensurate potentials
• Numerical Methods and Analysis of Computing Quasiperiodic Systems

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