Literature DB >> 17500826

Accurate numerical solutions of the time-dependent Schrödinger equation.

W van Dijk1, F M Toyama.   

Abstract

We present a generalization of the often-used Crank-Nicolson (CN) method of obtaining numerical solutions of the time-dependent Schrödinger equation. The generalization yields numerical solutions accurate to order (Deltax)2r-1 in space and (Deltat)2M in time for any positive integers r and M, while CN employ r=M=1. We note dramatic improvement in the attainable precision (circa ten or greater orders of magnitude) along with several orders of magnitude reduction of computational time. The improved method is shown to lead to feasible studies of coherent-state oscillations with additional short-range interactions, wave-packet scattering, and long-time studies of decaying systems.

Year:  2007        PMID: 17500826     DOI: 10.1103/PhysRevE.75.036707

Source DB:  PubMed          Journal:  Phys Rev E Stat Nonlin Soft Matter Phys        ISSN: 1539-3755


  1 in total

1.  Molecular Structure Optimization Based on Electrons-Nuclei Quantum Dynamics Computation.

Authors:  Hirotoshi Hirai; Takahiro Horiba; Soichi Shirai; Keita Kanno; Keita Omiya; Yuya O Nakagawa; Sho Koh
Journal:  ACS Omega       Date:  2022-06-02
  1 in total

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