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首页> 外文期刊>Journal of mathematical chemistry >A strategy for selecting the frequency in trigonometrically-fitted methods based on the minimization of the local truncation errors and the total energy error
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A strategy for selecting the frequency in trigonometrically-fitted methods based on the minimization of the local truncation errors and the total energy error

机译:A strategy for selecting the frequency in trigonometrically-fitted methods based on the minimization of the local truncation errors and the total energy error

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摘要

Trigonometrically-fitted methods have been largely used for solving second-order differential problems, and particularly for solving the radial Schr?dinger equation (see for instance Alolyan and Simos in J Math Chem 50:782-804, 2012; Simos in J Math Chem 34:39-58, 2003, 44:447-466, 2008; Vigo-Aguiar and Simos in JMath Chem 29:177-189, 2001, 32:257-270, 2002 and the references therein contained). It is well-known that for periodic or oscillatory problems, trigonometrically fitted methods are more efficient than non-fitted methods. A large number of different approaches have been considered in the scientific literature to obtain analytical approximations to the frequency of oscillation in case of periodic solutions, which are valid for a large range of amplitudes of oscillation. However, these techniques have been limited to obtaining only one or two iterates because of the great amount of algebra involved. In this paper we consider the use of a trigonometrically fitted method to obtain numerical approximations for the solutions. This yields very acceptable results provided that the approximation of the parameter of the method is done with great accuracy. Many trigonometrically fitted methods have been reported in the literature, but there is no decisive way to obtain the optimal frequency value. We present a strategy for the choice of the parameter value in the adapted method, based on the minimization of the sum of the total energy error and the local truncation errors in the solution and in the derivative. We include an example solved numerically that confirms the good performance of the strategy adopted.

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