作者
Luke J Edwards
发表日期
2014/3/31
期刊
Journal of Magnetic Resonance
卷号
240
页码范围
95-101
出版商
Academic Press
简介
An algorithm for simulating coherence selection due to a pulse sequence element consisting of two pulsed field gradients separated by a short collection of pulses and delays is introduced. This algorithm involves computation of the matrix exponential of an auxiliary matrix twice the size of the system Liouvillian, a dimensional increase smaller than is required with other known computational methods. Approximations valid for most simulations of liquid-state NMR spectra are involved in the derivation. Diffusion is omitted, but could be treated in an approximate way as a damping over the pulse sequence element. Several NMR pulse sequences using gradients for coherence selection have been implemented, making use of the functionality of Spinach (http://spindynamics.org/Spinach.php). Example simulations testing these implementations are presented, and the extent to which the formal dimensional reduction can …
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