scholarly journals Optimizing a Hybrid Two-Step Method for the Numerical Solution of the Schrödinger Equation and Related Problems with Respect to Phase-Lag

2012 ◽  
Vol 2012 ◽  
pp. 1-17 ◽  
Author(s):  
T. E. Simos

We use a methodology of optimization of the efficiency of a hybrid two-step method for the numerical solution of the radial Schrödinger equation and related problems with periodic or oscillating solutions. More specifically, we study how the vanishing of the phase-lag and its derivatives optimizes the efficiency of the hybrid two-step method.

2011 ◽  
Vol 22 (02) ◽  
pp. 133-153 ◽  
Author(s):  
G. A. PANOPOULOS ◽  
Z. A. ANASTASSI ◽  
T. E. SIMOS

A new general multistep predictor-corrector (PC) pair form is introduced for the numerical integration of second-order initial-value problems. Using this form, a new symmetric eight-step predictor-corrector method with minimal phase-lag and algebraic order ten is also constructed. The new method is based on the multistep symmetric method of Quinlan–Tremaine,1 with eight steps and 8th algebraic order and is constructed to solve numerically the radial time-independent Schrödinger equation. It can also be used to integrate related IVPs with oscillating solutions such as orbital problems. We compare the new method to some recently constructed optimized methods from the literature. We measure the efficiency of the methods and conclude that the new method with minimal phase-lag is the most efficient of all the compared methods and for all the problems solved.


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