Low-order efficient Adams–Bashforth–Moulton methods for first-order IVPs with oscillating solutions

IF 1.7 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Mathematical Chemistry Pub Date : 2025-05-06 DOI:10.1007/s10910-025-01727-8

Chia-Liang Lin, Theodore E. Simos

引用次数: 0

Abstract

The methodology for calculating the phase-lag and amplification-factor for both explicit and implicit multistep methods for first-order differential equations was recently developed by one of the authors. The objective of this study is to develop low-order Adams–Bashforth–Moulton predictor–corrector algorithms that eradicate phase-lag, amplification-factor. The stability regions of the newly established methodologies will also be highlighted. Furthermore, we will examine our results from numerical experiments employing the newly developed approaches.

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具有振荡解的一阶ivp的低阶有效Adams-Bashforth-Moulton方法

一阶微分方程的显式多步法和隐式多步法的相位滞后和放大因子的计算方法是最近由一位作者提出的。本研究的目的是开发低阶Adams-Bashforth-Moulton预测校正算法，以消除相位滞后、放大因子。还将强调新确立的方法的稳定区域。此外，我们将采用新开发的方法检查我们的数值实验结果。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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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.