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Eighth order methods with minimal phase‐lag for accurate computations for the elastic scattering phase‐shift problem

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Abstract

Two new hybrid eighth algebraic order two‐step methods with phase‐lag of order twelve and fourteen are developed for computing elastic scattering phase shifts of the radial Schrödinger equation. Based on these new methods we obtain a new variable‐step procedure for the numerical integration of the Schrödinger equation. Numerical results obtained for the integration of the phase shift problem for the well known case of the Lennard–Jones potential show that these new methods are better than other finite difference methods.

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  1. Section of Mathematics, Department of Civil Engineering, Shool of Engineering, Democritus University of Thrace, GR‐671 00, Xanthi, Greece

    T.E. Simos

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  1. T.E. Simos
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Simos, T. Eighth order methods with minimal phase‐lag for accurate computations for the elastic scattering phase‐shift problem. Journal of Mathematical Chemistry 21, 359–372 (1997). https://doi.org/10.1023/A:1019147124835

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  • DOI: https://doi.org/10.1023/A:1019147124835

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