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

J Mol Model. 2010 Aug;16(8):1339-46. doi: 10.1007/s00894-009-0626-7. Epub 2010 Feb 3.

Abstract

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.

MeSH terms

  • Models, Chemical*
  • Numerical Analysis, Computer-Assisted*