Split-operator spectral method for solving the time-dependent Schrödinger equation in spherical coordinates

Mark R. Hermann and J. A. Fleck, Jr.
Phys. Rev. A 38, 6000 – Published 1 December 1988
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Abstract

A spectral method previously developed for solving the time-dependent Schrödinger equation in Cartesian coordinates is generalized to spherical polar coordinates. The solution is implemented by repeated application of a unitary evolution operator in symmetrically split form. The wave function is expanded as a Fourier series in the radial coordinate and in terms of Legendre functions in the polar angle. The use of appropriate quadrature sets makes the expansion exact for band-limited functions. The method is appropriate for solving explicitly time-dependent problems, or for determining stationary states by a spectral method. The accuracy of the method is established by computing the Stark shift and lifetime of the 1s state in hydrogen, the low-lying energy levels for hydrogen in a uniform magnetic field, and the 2p-nd dipole transition spectrum for hydrogen.

  • Received 5 February 1988

DOI:https://doi.org/10.1103/PhysRevA.38.6000

©1988 American Physical Society

Authors & Affiliations

Mark R. Hermann and J. A. Fleck, Jr.

  • Lawrence Livermore National Laboratory, Livermore, California 94550

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Issue

Vol. 38, Iss. 12 — December 1988

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