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Solution of the radial Schrödinger equation by a modified “shooting” method

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Czechoslovak Journal of Physics B Aims and scope

Abstract

Based on a comparative analysis of various modifications of the “shooting” method, used for solving the radial Schrödinger equation, a new algorithm is proposed, which allows to increase considerably its solution accuracy. This is achieved, first, by rising the order of approximation of the Schrödinger equation fromh 4 (in the traditional Numerov-Cooley method) up toh 6 and, second, by using the variable integration steph. The computer program has been written in Fortran IV to execute this algorithm for calculating vibrational wave functions and related quantities for diatomic molecules.

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Authors and Affiliations

  1. Laboratory of Molecular Spectroscopy, Department of Chemistry, Moscow State University, W-234, 119899, Moscow, USSR

    A. V. Stolyarov & N. E. Kuz'menko

Authors
  1. A. V. Stolyarov
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  2. N. E. Kuz'menko
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Stolyarov, A.V., Kuz'menko, N.E. Solution of the radial Schrödinger equation by a modified “shooting” method. Czech J Phys 37, 529–536 (1987). https://doi.org/10.1007/BF01597181

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  • DOI: https://doi.org/10.1007/BF01597181

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