用于求解正弦-戈登方程的四阶能量守恒时间积分器

IF 1.7 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Journal of Mathematical Chemistry Pub Date : 2024-03-14 DOI:10.1007/s10910-024-01586-9

Bo Jiang, Changna Lu, Yonglei Fang

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引用次数: 0

摘要

本文通过改进经典的平均矢量场积分器，推导出一种四阶能量守恒时间积分器。将所提出的新型时间积分器与傅立叶伪谱空间离散化相结合，我们开发并分析了具有周期性边界条件的正弦-戈登方程的能量守恒全离散方案。数值结果验证了所提出的全离散方案的能量守恒和精确性。

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Fourth-order energy-preserving time integrator for solving the sine-Gordon equation

In this paper, a fourth-order energy-preserving time integrator is derived by improving the classical average vector field integrator. Combining the proposed novel time integrator with the Fourier pseudo-spectral spatial discretisation, we develop and analyze an energy-preserving fully discrete scheme for the sine-Gordon equation with periodic boundary conditions. Numerical results verify the energy preservation and the accuracy of the proposed fully discrete scheme.

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来源期刊

Journal of Mathematical Chemistry 化学-化学综合

CiteScore

3.70

自引率

17.60%

发文量

105

审稿时长

6 months

期刊介绍： The Journal of Mathematical Chemistry (JOMC) publishes original, chemically important mathematical results which use non-routine mathematical methodologies often unfamiliar to the usual audience of mainstream experimental and theoretical chemistry journals. Furthermore JOMC publishes papers on novel applications of more familiar mathematical techniques and analyses of chemical problems which indicate the need for new mathematical approaches. Mathematical chemistry is a truly interdisciplinary subject, a field of rapidly growing importance. As chemistry becomes more and more amenable to mathematically rigorous study, it is likely that chemistry will also become an alert and demanding consumer of new mathematical results. The level of complexity of chemical problems is often very high, and modeling molecular behaviour and chemical reactions does require new mathematical approaches. Chemistry is witnessing an important shift in emphasis: simplistic models are no longer satisfactory, and more detailed mathematical understanding of complex chemical properties and phenomena are required. From theoretical chemistry and quantum chemistry to applied fields such as molecular modeling, drug design, molecular engineering, and the development of supramolecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. JOMC has an important role in advancing chemistry to an era of detailed understanding of molecules and reactions.