在同时无质量和非相对论条件下的狄拉克方程的显式和结构保持指数波积分器傅立叶伪谱方法

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Jiyong Li
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引用次数: 0

摘要

我们提出了两种在同时无质量和非相对论条件下求解狄拉克方程的显式和结构保留指数波积分器傅立叶伪谱(SPEWIFP)方法。在这种情况下,由于与光速成反比的小参数\(0 <\varepsilon \ll 1\),狄拉克方程的解在时间上高度振荡。所提出的方法被证明是时间对称的,仅在 \(\tau \lesssim 1\) 条件下稳定,并在离散水平上保留修正能量和修正质量。虽然我们的方法只能保留修正能量和修正质量,而不能保留原始能量和质量,但我们的方法是显式的,与通常是隐式的传统结构保留方法相比,大大降低了计算成本。通过严格的误差分析,我们给出了方法的误差边界为 \(O(h^{m_0} + \tau ^2/\varepsilon ^2)\),其中 h 是网格大小,\(\tau \)是时间步长,整数 \(m_0\)由正则条件决定。这些误差边界表明,为了在同时无质量和非相对论状态下获得正确的数值解,我们的方法要求具有 \(\varepsilon \)-可扩展性,即 \(h = O(1)\) 和 \(\tau = O(\varepsilon )\) ,这比有限差分(FD)方法的 \(\varepsilon \)-可扩展性要好:\h =O(\varepsilon ^{1/2})\) and\(\tau = O(\varepsilon ^{3/2})\).数值实验证实了本文的理论结果是正确的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Explicit and structure-preserving exponential wave integrator Fourier pseudo-spectral methods for the Dirac equation in the simultaneously massless and nonrelativistic regime

Explicit and structure-preserving exponential wave integrator Fourier pseudo-spectral methods for the Dirac equation in the simultaneously massless and nonrelativistic regime

We propose two explicit and structure-preserving exponential wave integrator Fourier pseudo-spectral (SPEWIFP) methods for the Dirac equation in the simultaneously massless and nonrelativistic regime. In this regime, the solution of Dirac equation is highly oscillatory in time because of the small parameter \(0 <\varepsilon \ll 1\) which is inversely proportional to the speed of light. The proposed methods are proved to be time symmetric, stable only under the condition \(\tau \lesssim 1\) and preserve the modified energy and modified mass in the discrete level. Although our methods can only preserve the modified energy and modified mass instead of the original energy and mass, our methods are explicit and greatly reduce the computational cost compared to the traditional structure-preserving methods which are often implicit. Through rigorous error analysis, we give the error bounds of the methods at \(O(h^{m_0} + \tau ^2/\varepsilon ^2)\) where h is mesh size, \(\tau \) is time step and the integer \(m_0\) is determined by the regularity conditions. These error bounds indicate that, to obtain the correct numerical solution in the simultaneously massless and nonrelativistic regime, our methods request the \(\varepsilon \)-scalability as \(h = O(1)\) and \(\tau = O(\varepsilon )\) which is better than the \(\varepsilon \)-scalability of the finite difference (FD) methods: \(h =O(\varepsilon ^{1/2})\) and \(\tau = O(\varepsilon ^{3/2})\). Numerical experiments confirm that the theoretical results in this paper are correct.

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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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