An Error Bound for the Time-Sliced Thawed Gaussian Propagation Method

DOI10.1007/S00211-022-01319-7MaRDI QIDQ6376131arXivFDO

Authors Paul Bergold, Caroline Lasser

Publication date 27 August 2021

Published in arXiv

Full work available at URL https://doi.org/10.1007/S00211-022-01319-7

Mathematics Subject Classification ID

Schrödinger operator, Schrödinger equation (35J10) Fourier and Fourier-Stieltjes transforms and other transforms of Fourier type (42A38) Numerical quadrature and cubature formulas (65D32) Numerical methods for partial differential equations, initial value and time-dependent initial-boundary value problems (65Mxx) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Applications to the sciences (65Z05) Semiclassical techniques, including WKB and Maslov methods applied to problems in quantum theory (81Q20)

arXiv classification

cs.NAmath.NA

Abstract: We study the time-sliced thawed Gaussian propagation method, which was recently proposed for solving the time-dependent Schr"odinger equation. We introduce a triplet of quadrature-based analysis, synthesis and re-initialization operators to give a rigorous mathematical formulation of the method. Further, we derive combined error bounds for the discretization of the wave packet transform and the time-propagation of the thawed Gaussian basis functions. Numerical experiments in 1D illustrate the theoretical results.

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