Floquet theory in magnetic resonance: Formalism and applications

IF 7.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Progress in Nuclear Magnetic Resonance Spectroscopy Pub Date : 2021-10-01 DOI:10.1016/j.pnmrs.2021.05.002
Konstantin L. Ivanov , Kaustubh R. Mote , Matthias Ernst , Asif Equbal , Perunthiruthy K. Madhu
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引用次数: 9

Abstract

Floquet theory is an elegant mathematical formalism originally developed to solve time-dependent differential equations. Besides other fields, it has found applications in optical spectroscopy and nuclear magnetic resonance (NMR). This review attempts to give a perspective of the Floquet formalism as applied in NMR and shows how it allows one to solve various problems with a focus on solid-state NMR. We include both matrix- and operator-based approaches. We discuss different problems where the Hamiltonian changes with time in a periodic way. Such situations occur, for example, in solid-state NMR experiments where the time dependence of the Hamiltonian originates either from magic-angle spinning or from the application of amplitude- or phase-modulated radiofrequency fields, or from both. Specific cases include multiple-quantum and multiple-frequency excitation schemes. In all these cases, Floquet analysis allows one to define an effective Hamiltonian and, moreover, to treat cases that cannot be described by the more popularly used and simpler-looking average Hamiltonian theory based on the Magnus expansion. An important example is given by spin dynamics originating from multiple-quantum phenomena (level crossings). We show that the Floquet formalism is a very general approach for solving diverse problems in spectroscopy.

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磁共振中的Floquet理论:形式主义与应用
Floquet理论是一种优雅的数学形式,最初是为了求解时变微分方程而发展起来的。除其他领域外,它还在光谱学和核磁共振(NMR)中得到了应用。这篇综述试图给出一个弗洛奎特形式论在核磁共振中的应用,并展示了它如何允许人们解决各种问题,重点是固态核磁共振。我们包括基于矩阵和基于算子的方法。我们讨论了哈密顿量随时间周期性变化的不同问题。例如,在固态核磁共振实验中,哈密顿量的时间依赖性要么来自魔角旋转,要么来自振幅或相位调制射频场的应用,或者两者兼而有之。具体情况包括多量子和多频率激励方案。在所有这些情况下,Floquet分析允许人们定义一个有效的哈密顿量,而且,处理不能用基于马格努斯展开的更普遍使用和看起来更简单的平均哈密顿理论来描述的情况。由多量子现象(水平交叉)产生的自旋动力学给出了一个重要的例子。我们证明了Floquet形式是解决光谱学中各种问题的一种非常普遍的方法。
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来源期刊
CiteScore
14.30
自引率
8.20%
发文量
12
审稿时长
62 days
期刊介绍: Progress in Nuclear Magnetic Resonance Spectroscopy publishes review papers describing research related to the theory and application of NMR spectroscopy. This technique is widely applied in chemistry, physics, biochemistry and materials science, and also in many areas of biology and medicine. The journal publishes review articles covering applications in all of these and in related subjects, as well as in-depth treatments of the fundamental theory of and instrumental developments in NMR spectroscopy.
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