Open Newton-Cotes differential methods as multilayer symplectic integrators

J. C. Chiou*, S. D. Wu

*此作品的通信作者

研究成果: 雜誌貢獻期刊論文同行評審

21 引文 斯高帕斯(Scopus)

摘要

Open Newton-Cotes differential methods that possess the characteristics of multilayer symplectic structures are shown in this paper. In numerical simulation, volume-preservation plays an important role in solving the Hamiltonian system. In this regard, developing a numerical integrator that preserves the volume in the phase space of a Hamiltonian system is a great challenge to the researchers in this field. Symplectic integrators were proven to be good candidates for volume-preserving integrators (VPIs) in the past ten years. Several one-step (single-stage or multistages) symplectic integrators have been developed based on the symplectic geometric theory. However, multistep VPIs have seldom been investigated by other researchers for the lack of an advanced theory. Recently, Zhu et al. converted open Newton-Cotes differential methods into a multilayer symplectic structure so that multistep VPIs of a Hamiltonian system are obtained. Mainly, their work has concentrated on the issue of achieving both the accuracy and efficiency by solving the quantum systems. But, there exist some unclear aspects in deriving this result in their paper. In this regard, we resolve their problem and provide a different aspect in connecting the relationship between open Newton-Cotes differential methods and symplectic integrators. A numerical example has been carried out to show the effectiveness of the present differential method.

原文英語
頁(從 - 到)6894-6898
頁數5
期刊Journal of Chemical Physics
107
發行號17
DOIs
出版狀態已發佈 - 1997 十一月 1
對外發佈

ASJC Scopus subject areas

  • 物理與天文學 (全部)
  • 物理與理論化學

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