微扰论与平均Hamiltonian理论Ⅰ.场相关化学位移

波谱学杂志 ›› 1988, Vol. 5 ›› Issue (1): 59-64.

微扰论与平均Hamiltonian理论Ⅰ.场相关化学位移

夏佑林, 叶朝辉

中国科学院武汉物理研究所波谱与原子分子物理开放研究实验室

收稿日期:1987-04-10 修回日期:1987-05-16 出版日期:1988-03-05 发布日期:2018-01-22

PERTURBATIONAL THEORY AND AVERAGING HAMILTONIAN THEORY I.FIELD-DEPENDENT CHEMICAL SHIFTS

Xia youlin, ye chaohui

Laboratory of Magnetic Resonance and Atomic and Molecular physics, Wuhan Institute of Physics, Academia Sinica, Wuhan China

Received:1987-04-10 Revised:1987-05-16 Online:1988-03-05 Published:2018-01-22

摘要/Abstract

摘要： 本文应用平均Hamiltonian理论讨论了异核偶极相互作用引起的场相关化学位移,对照二阶微拢论的结果,发现计入了"A"项的额外影响。说明在讨论非久期项效应时,一级平均Hamiltonian比只用二阶微扰论的结果更精确。文中,应用平均Hamiltonian理论还讨论了同核偶极相互作用产生的场相关化学位移。

Abstract: The field-dependent chemical shift caused by hetero-nuclear dipolar interactions is discussed by the averaging Hamiltonian theory, and compared with the results from the second-order perturbation, it was found that the effect of "A" term has been additionally involved. It is shown that the first-order averaging Hamiltonian is generally more precise than the second-order perturbation when the effects of non-secular terms are considered. The field-dependent chemical shifts produced by homo-nuclear dipolar interaction are also discussed.

Key words: Field-dependent Chemical Shifts, Effect of Non-secular Terms, Averaging Hamiltonian Theory

夏佑林, 叶朝辉. 微扰论与平均Hamiltonian理论Ⅰ.场相关化学位移[J]. 波谱学杂志, 1988, 5(1): 59-64.

Xia youlin, ye chaohui. PERTURBATIONAL THEORY AND AVERAGING HAMILTONIAN THEORY I.FIELD-DEPENDENT CHEMICAL SHIFTS[J]. Chinese Journal of Magnetic Resonance, 1988, 5(1): 59-64.