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J Chem Phys. 2010 May 28;132(20):204107. doi: 10.1063/1.3442718.

Exponentially fitted open Newton-Cotes differential methods as multilayer symplectic integrators.

The Journal of chemical physics

G Vanden Berghe, M Van Daele

Affiliations

  1. Vakgroep Toegepaste Wiskunde en Informatica, Universiteit Gent, Krijgslaan 281-S9, B-9000 Gent, Belgium. [email protected]

PMID: 20515088 DOI: 10.1063/1.3442718

Abstract

Classical open and closed Newton-Cotes differential methods possessing the characteristics of multilayer symplectic structures have been constructed in the past. In this paper, we study the exponentially fitted open Newton-Cotes differential methods of order two, four, and six. It is shown that these integrators, just as their classical counterparts, preserve the volume in the phase space of a Hamiltonian system. They can be converted into a multilayer symplectic structure so that volume-preserving integrators of a Hamiltonian system are obtained. A numerical example has been carried out to show the effectiveness of the present differential method.

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