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Phys. Rev. E 75, 036707 (2007) [10 pages]

Accurate numerical solutions of the time-dependent Schrödinger equation

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W. van Dijk*
Physics Department, Redeemer University College, Ancaster, Ontario L9K 1J4, Canada and Department of Physics and Astronomy, McMaster University, Hamilton, Ontario L8S 4M1, Canada

F. M. Toyama
Department of Information and Communication Sciences, Kyoto Sangyo University, Kyoto 603-8055, Japan

Received 2 August 2006; revised 7 December 2006; published 23 March 2007

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 (Δx)2r−1 in space and (Δt)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.

© 2007 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevE.75.036707
DOI:
10.1103/PhysRevE.75.036707
PACS:
02.60.−x, 02.70.−c, 03.67.Lx, 03.65.−w

*Electronic address: vandijk@physics.mcmaster.ca

Electronic address: toyama@cc.kyoto-su.ac.jp