A modified phase-fitted and amplification-fitted Runge-Kutta-Nyström method for the numerical solution of the radial Schrödinger equation | Zendy

Dimitris Papadopoulos | Zendy; Zacharias Anastassi | Zendy; T. E. Simos | Zendy

Open Access

A modified phase-fitted and amplification-fitted Runge-Kutta-Nyström method for the numerical solution of the radial Schrödinger equation

Author(s) -

Dimitris Papadopoulos,

Zacharias Anastassi,

T. E. Simos

Publication year - 2010

Publication title -

journal of molecular modeling

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.363

H-Index - 69

eISSN - 1610-2940

pISSN - 0948-5023

DOI - 10.1007/s00894-009-0626-7

Subject(s) - runge–kutta methods , nyström method , mathematics , algebraic number , phase lag , phase (matter) , mathematical analysis , schrödinger equation , numerical analysis , physics , integral equation , quantum mechanics

A new Runge-Kutta-Nyström method, with phase-lag and amplification error of order infinity, for the numerical solution of the Schrödinger equation is developed in this paper. The new method is based on the Runge-Kutta-Nyström method with fourth algebraic order, developed by Dormand, El-Mikkawy and Prince. Numerical illustrations indicate that the new method is much more efficient than other methods derived for the same purpose.

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