A family of high-order multistep methods with vanished phase-lag and its derivatives for the numerical solution of the Schrödinger equation

Abstract

AbstractMany simulation algorithms (chemical reaction systems, differential systems arising from the modelling of transient behaviour in the process industries etc.) contain the numerical solution of systems of differential equations. For the efficient solution of the above mentioned problems, linear multistep methods or Runge–Kutta single-step methods are used. For the simulation of chemical procedures the radial Schrödinger equation is used frequently. In the present paper we will study a class of linear multistep methods. More specifically, the purpose of this paper is to develop an efficient algorithm for the approximate solution of the radial Schrödinger equation and related problems. This algorithm belongs in the category of the multistep methods. In order to produce an efficient multistep method the phase-lag property and its derivatives are used. Hence the main result of this paper is the development of an efficient multistep method for the numerical solution of systems of ordinary differential equations with oscillating or periodical solutions. The reason of their efficiency, as the analysis proved, is that the phase-lag and its derivatives are eliminated. Another reason of the efficiency of the new obtained methods is that they have high algebraic orde