自旋进动:使用不可约张量算子的自旋-1案例研究

IF 0.4 4区 化学 Q4 CHEMISTRY, PHYSICAL Concepts in Magnetic Resonance Part A Pub Date : 2018-04-29 DOI:10.1002/cmr.a.21411
David J. Siminovitch
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引用次数: 0

摘要

利用笛卡儿算子基集,已经推导出了使用23个笛卡儿算子换向子的自旋-1系统的进动方程。我们避免了这些换向子的显式计算,而是使用不可约张量算子(ITO)的基本性质来获得这些进动方程。首先,利用变换二阶ITO的旋转矩阵的角轴参数化,定义了变换二阶笛卡尔张量的幺正旋转矩阵。从后一种变换,并使用简单的矩阵分析技术,所有的方程描述自旋1进动存在的射频场和共振偏移。其次,利用广义自旋进动方程的角动量耦合系数来编码ITO交换关系的信息。在自旋为1的情况下,这导致了统计张量分量的一组耦合微分方程。将这些分量转换成对应的笛卡尔分量后,定义笛卡尔算子期望值的时间演化的相应矢量微分方程就很容易求解,同样使用简单的矩阵分析。这个解产生了描述在射频场、共振偏移和四极相互作用下自旋-1进动的所有方程。
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Spin precession: A spin-1 case study using irreducible tensor operators

Using a Cartesian operator basis set, precession equations have previously been derived for spin-1 systems using some 23 Cartesian operator commutators. We avoid the explicit evaluation of these commutators, and use instead fundamental properties of irreducible tensor operators (ITO) to obtain these precession equations. First, advantage is taken of the angle-axis parametrization of the rotation matrices that transform second-rank ITO under rotation to define the unitarily equivalent rotation matrix that transforms second-rank Cartesian tensors. From this latter transformation, and using simple matrix analysis techniques, all the equations that describe spin-1 precession in the presence of radiofrequency fields and resonance offsets are obtained. Second, information on the ITO commutation relations can be encoded in angular momentum coupling coefficients in a generalized spin precession equation. In the case of spin-1, this leads to a set of coupled differential equations for the statistical tensor components . After transformation of these components to their Cartesian counterparts, the corresponding vector differential equations that define the time evolution of the Cartesian operator expectation values are easily solved, again using simple matrix analysis. This solution yields all the equations that describe spin-1 precession in the presence of radiofrequency fields, resonance offsets, and the quadrupolar interaction.

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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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