Gradient Symplectic Algorithms for Solving the Radial Schrodinger Equation

The radial Schrodinger equation for a spherically symmetric potential can be regarded as a one dimensional classical harmonic oscillator with a time-dependent spring constant. For solving classical dynamics problems, symplectic integrators are well known for their excellent conservation properties. The class of {\it gradient} symplectic algorithms is particularly suited for solving harmonic oscillator dynamics. By use of Suzuki's rule for decomposing time-ordered operators, these algorithms can be easily applied to the Schrodinger equation. We demonstrate the power of this class of gradient algorithms by solving the spectrum of highly singular radial potentials using Killingbeck's method of backward Newton-Ralphson iterations.Comment: 19 pages, 10 figure

Cost-reduction implicit exponential Runge-Kutta methods for highly oscillatory systems

In this paper, two novel classes of implicit exponential Runge-Kutta (ERK) methods are studied for solving highly oscillatory systems. First of all, we analyze the symplectic conditions of two kinds of exponential integrators, and present a first-order symplectic method. In order to solve highly oscillatory problems, the highly accurate implicit ERK integrators (up to order four) are formulated by comparing the Taylor expansions of numerical and exact solutions, it is shown that the order conditions of two new kinds of exponential methods are identical to the order conditions of classical Runge-Kutta (RK) methods. Moreover, we investigate the linear stability properties of these exponential methods. Finally, numerical results not only present the long time energy preservation of the first-order symplectic method, but also illustrate the accuracy and efficiency of these formulated methods in comparison with standard ERK methods

Phase-Fitted and Amplification-Fitted Higher Order Two-Derivative Runge-Kutta Method for the Numerical Solution of Orbital and Related Periodical IVPs

A phase-fitted and amplification-fitted two-derivative Runge-Kutta (PFAFTDRK) method of high algebraic order for the numerical solution of first-order Initial Value Problems (IVPs) which possesses oscillatory solutions is derived. We present a sixth-order four-stage two-derivative Runge-Kutta (TDRK) method designed using the phase-fitted and amplification-fitted property. The stability of the new method is analyzed. The numerical experiments are carried out to show the efficiency of the derived methods in comparison with other existing Runge-Kutta (RK) methods