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research article

Dynamics of large nuclear-spin systems from low-order correlations in Liouville space

Butler, Mark C.
•
Dumez, Jean-Nicolas
•
Emsley, Lyndon  
2009
Chemical Physics Letters

Simulation of the coherent dynamics of a large lattice of strongly coupled nuclear spins is demonstrated. The evolution of N spins is simulated in a reduced Liouville space X which excludes coherences involving more than k spins, where k << N is chosen to minimize the dimension of X without introducing unacceptable error. For polarization transfer within a spinning lattice of protons, comparison with exact simulations shows that k = 4 allows accurate simulation of the experimentally relevant powder-averaged curves. A simulation of polarization transfer among 144 protons is presented. (C) 2009 Elsevier B. V. All rights reserved.

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Type
research article
DOI
10.1016/j.cplett.2009.07.017
Web of Science ID

WOS:000268515200029

Author(s)
Butler, Mark C.
Dumez, Jean-Nicolas
Emsley, Lyndon  
Date Issued

2009

Publisher

Elsevier

Published in
Chemical Physics Letters
Volume

477

Issue

4-6

Start page

377

End page

381

Editorial or Peer reviewed

REVIEWED

Written at

OTHER

EPFL units
LRM  
Available on Infoscience
January 8, 2015
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/110035
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