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

DOI10.4208/CICP.OA-2021-0070MaRDI QIDQ5065155zbMATH OpenOpenAlexFDO

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)

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

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)

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.

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Cites work

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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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