Introduction to average Hamiltonian theory. I. Basics

IF 0.4 4区 化学 Q4 CHEMISTRY, PHYSICAL
Andreas Brinkmann
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引用次数: 34

Abstract

Understanding the dynamics of electron or nuclear spins during a magnetic resonance experiment requires to solve the Schrödinger equation for the spin system considering all contributions to the Hamiltonian from interactions of the spins with each other and their surroundings. In general, this is a difficult task as these interaction terms can be both time-dependent and might not commute with each other. A powerful tool to analytically approximate the time evolution is average Hamiltonian theory, in which a time-independent effective Hamiltonian is taking the place of the time-dependent Hamiltonian. The effective Hamiltonian is subjected to the Magnus expansion, allowing to calculate the effective Hamiltonian to a certain order. The goal of this paper is to introduce average Hamiltonian theory in a rigorous but educational manner. The application to two composite pulses in NMR spectroscopy is used to demonstrate important aspects of average Hamiltonian theory.

平均哈密顿理论导论。一、基础知识
在磁共振实验中,理解电子或核自旋的动力学需要求解自旋系统的Schrödinger方程,考虑自旋相互作用及其周围环境对哈密顿量的所有贡献。一般来说,这是一项困难的任务,因为这些交互项可能是时间相关的,并且可能不会相互交换。平均哈密顿理论是解析近似时间演化的有力工具,它用一个与时间无关的有效哈密顿量来代替与时间相关的哈密顿量。有效哈密顿量服从马格努斯展开,允许计算有效哈密顿量到某一阶。本文的目的是以严谨而有教育意义的方式介绍平均哈密顿理论。通过对核磁共振波谱中两个复合脉冲的应用,证明了平均哈密顿理论的重要方面。
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来源期刊
CiteScore
0.90
自引率
0.00%
发文量
12
审稿时长
>12 weeks
期刊介绍: Concepts in Magnetic Resonance Part A brings together clinicians, chemists, and physicists involved in the application of magnetic resonance techniques. The journal welcomes contributions predominantly from the fields of magnetic resonance imaging (MRI), nuclear magnetic resonance (NMR), and electron paramagnetic resonance (EPR), but also encourages submissions relating to less common magnetic resonance imaging and analytical methods. Contributors come from academic, governmental, and clinical communities, to disseminate the latest important experimental results from medical, non-medical, and analytical magnetic resonance methods, as well as related computational and theoretical advances. Subject areas include (but are by no means limited to): -Fundamental advances in the understanding of magnetic resonance -Experimental results from magnetic resonance imaging (including MRI and its specialized applications) -Experimental results from magnetic resonance spectroscopy (including NMR, EPR, and their specialized applications) -Computational and theoretical support and prediction for experimental results -Focused reviews providing commentary and discussion on recent results and developments in topical areas of investigation -Reviews of magnetic resonance approaches with a tutorial or educational approach
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