Parameter estimation in exponentially fitted hybrid methods for second order differential problems

• DOI: 10.1007/s10910-011-9903-7
• Publication Date: 2011-09-06T18:31:28Z
• Authors: Raffaele D’Ambrosio; Elena Esposito; Beatrice Paternoster
• Keywords: Second order ordinary differential equations; Molecular dynamics; Exponential fitting; Two-step hybrid methods; Parameter estimation; Exponential fitting; Molecular dynamics; Parameter estimation; Second order ordinary differential equations; Two-step hybrid methods; Chemistry (all); Applied Mathematics; 0101 mathematics; 01 natural sciences

In this work we deal with exponentially fitted methods for the numerical solution of second order ordinary differential equations, whose solutions are known to show a prominent exponential behaviour depending on the value of an unknown parameter to be suitably determined. The knowledge of an estimation to the unknown parameter is needed in order to apply the numerical method, since its coefficients depend on the value of the parameter. We present a strategy for the practical estimation of the parameter, which is also tested on some selected problems.