An efficient computational technique and its convergence analysis for a class of doubly singular boundary value problems

IF 1.7 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Mathematical Chemistry Pub Date : 2024-11-04 DOI:10.1007/s10910-024-01685-7

Pradip Roul, Ravi P. Agarwal

引用次数: 0

Abstract

In Roul and Warbhe (2016) J. Comp. Appl. Math. 296: 661–676, Roul and Warbhe proposed a computational technique for solving a class of doubly singular boundary value problems (DSBVP). This method approximates the solution of DSBVP in the form of a series but requires a large number of components in the series to achieve a reasonably good accuracy. In this paper, a fast and computationally efficient approach is introduced to approximate the solution to the same DSBVP. Additionally, convergence of the suggested scheme is rigorously proven. Two test problems are considered to demonstrate the efficiency and accuracy of the method. Comparison is performed between the proposed method and the method in Roul and Warbhe (2016) J. Comp. Appl. Math. 296: 661–676. The execution time of the present method is provided.

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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.