High-order structure-preserving schemes for the regularized logarithmic Schrödinger equation

IF 2 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY
Fan Yang, Zhida Zhou, Chaolong Jiang
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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.

正则化对数Schrödinger方程的高阶保结构格式
本文提出了正则化对数Schrödinger方程的一种新的高阶、质量和节能格式。基于补充变量法(supplementary variable method, SVM)的思想,首先通过引入两个补充变量将原系统重新表述为等价形式,然后分别在时间上采用高阶预测校正方法和在空间上采用傅立叶伪谱方法对得到的支持向量机重新表述进行离散化。新开发的格式可以产生质量和原始能量精确守恒的数值解,就像解析解一样。此外,它的效率非常高,因为它只需要求解一个常系数线性系统和两个代数方程,每个时间步长都可以通过牛顿迭代有效地求解。通过数值实验验证了该方法的精度和保结构性。
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来源期刊
Journal of Mathematical Chemistry
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.
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