Optimal control of coupled spin dynamics:: design of NMR pulse sequences by gradient ascent algorithms

被引:1360
作者
Khaneja, N [1 ]
Reiss, T
Kehlet, C
Schulte-Herbrüggen, T
Glaser, SJ
机构
[1] Harvard Univ, Dept Appl Sci, Cambridge, MA 02138 USA
[2] Tech Univ Munich, Dept Chem, D-85747 Garching, Germany
关键词
pulse design; sequence optimization; time-optimal coherence transfer; relaxation-optimized experiments; time-optimal realization of unitary operators; quantum gates; GRAPE algorithm; optimal control theory;
D O I
10.1016/j.jmr.2004.11.004
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
In this paper, we introduce optimal control algorithm for the design of pulse sequences in NMR spectroscopy. This methodology is used for designing pulse sequences that maximize the coherence transfer between coupled spins in a given specified time, minimize the relaxation effects in a given coherence transfer step or minimize the time required to produce a given unitary propagator, as desired. The application of these pulse engineering methods to design pulse sequences that are robust to experimentally important parameter variations, such as chemical shift dispersion or radiofrequency (rf) variations due to imperfections such as rf inhomogeneity is also explained. (C) 2004 Elsevier Inc. All rights reserved.
引用
收藏
页码:296 / 305
页数:10
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