Golding R M
The University of New South Wales, Sydney, New South Wales 2052, Australia.
J Magn Reson. 2007 Jul;187(1):52-6. doi: 10.1016/j.jmr.2007.04.001. Epub 2007 Apr 6.
The general experimental hamiltonian expressed in tensorial notation is assessed in a way to ensure that the outcomes from such a hamiltonian reflect correctly the electron-nuclear-magnetic field interactions and yields the appropriate parameters. Without such knowledge the use of hamiltonians in tensorial notation to analyse magnetic resonance spectra may lead to questionable or even meaningless results reflected in several publications over the years. Furthermore, the errors that may occur in handling mixed hamiltonians compound the problem.
用张量符号表示的一般实验哈密顿量的评估方式,是为了确保该哈密顿量的结果能正确反映电子 - 核 - 磁场相互作用,并产生合适的参数。如果没有这些知识,多年来在多篇出版物中所反映的那样,使用张量符号表示的哈密顿量来分析磁共振谱可能会导致有问题甚至无意义的结果。此外,处理混合哈密顿量时可能出现的误差会使问题更加复杂。