{"title":"High-order structure-preserving schemes for the regularized logarithmic Schrödinger equation","authors":"Fan Yang, Zhida Zhou, Chaolong Jiang","doi":"10.1007/s10910-025-01741-w","DOIUrl":null,"url":null,"abstract":"<div><p>In this paper, a novel high-order, mass and energy-conserving scheme is proposed for the regularized logarithmic Schrödinger equation. Based on the idea of the supplementary variable method (SVM), we firstly reformulate the original system into an equivalent form by introducing two supplementary variables, and the resulting SVM reformulation is then discretized by applying a high-order prediction-correction method in time and a Fourier pseudo-spectral method in space, respectively. The newly developed scheme can produce numerical solutions along which the mass and original energy are precisely conserved, as is the case with the analytical solution. Additionally, it is extremely efficient in the sense that only requires solving a constant-coefficient linear systems plus two algebraic equations, which can be efficiently solved by the Newton iteration at every time step. Numerical experiments are presented to confirm the accuracy and structure-preserving properties of the new scheme.</p></div>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"63 9","pages":"1826 - 1853"},"PeriodicalIF":2.0000,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Mathematical Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10910-025-01741-w","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
In this paper, a novel high-order, mass and energy-conserving scheme is proposed for the regularized logarithmic Schrödinger equation. Based on the idea of the supplementary variable method (SVM), we firstly reformulate the original system into an equivalent form by introducing two supplementary variables, and the resulting SVM reformulation is then discretized by applying a high-order prediction-correction method in time and a Fourier pseudo-spectral method in space, respectively. The newly developed scheme can produce numerical solutions along which the mass and original energy are precisely conserved, as is the case with the analytical solution. Additionally, it is extremely efficient in the sense that only requires solving a constant-coefficient linear systems plus two algebraic equations, which can be efficiently solved by the Newton iteration at every time step. Numerical experiments are presented to confirm the accuracy and structure-preserving properties of the new scheme.
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.