Numerical simulation of free evolution in solid-state nuclear magnetic resonance using low-order correlations in Liouville space

Journal of Chemical Physics

Volumn 133, Issue 22, 2010, Pages

  Dumez, Jean Nicolas ^a   Butler, Mark C ^a   Emsley, Lyndon ^b  

^a UNIVERSITÉ DE LYON   (France)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL SCHEMES; DENSITY MATRIX; DESIGN OF SIMULATIONS; DOMINANT CONTRIBUTIONS; HIGH-ORDER; MEMORY REQUIREMENTS; NUMERICAL SIMULATION; PROTON SPINS; REDUCED SPACE; SOLID-STATE NUCLEAR MAGNETIC RESONANCE; SPACE REDUCTIONS; SPIN SYSTEMS; SPINNING FREQUENCY;

MAGNETIC RESONANCE;

SPIN DYNAMICS;

EID: 78650340203     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3505455     Document Type: Article

References (42)

1. F. S. Debouregas, and J. S. Waugh, J. Magn. Reson. 96, 280 (1992). 10.1006/jmre.1998.1598
2. S. A. Smith, T. O. Levante, B. H. Meier, and R. R. Ernst, J. Magn. Reson. 106, 75 (1994). 10.1006/jmra.1994.1008
3. M. Bak, J. T. Rasmussen, and N. C. Nielsen, J. Magn. Reson. 147, 296 (2000). 10.1006/jmre.2000.2179
4. P. Hodgkinson and L. Emsley, Prog. Nucl. Magn. Reson. Spectrosc. 36, 201 (2000). 10.1016/S0079-6565(99)00019-9
5. M. Veshtort and R. G. Griffin, J. Magn. Reson. 178, 248 (2006). 10.1016/j.jmr.2005.07.018
6. R. R. Ernst, G. Bodenhausen, and A. Wokaun, Principles of Nuclear Magnetic Resonance in One and Two Dimensions (Oxford University Press, Oxford, 1990).
7. K. Schmidt-Rohr and H. W. Spiess, Multidimensional Solid-State NMR and Polymers (Academic Press, New York, 1994).
8. H. Geen, J. J. Titman, J. Gottwald, and H. W. Spiess, Chem. Phys. Lett. 227, 79 (1994). 10.1016/0009-2614(94)00789-6
9. Y. S. Yen and A. Pines, J. Chem. Phys. 78, 3579 (1983). 10.1063/1.445185
10. M. Munowitz and A. Pines, Adv. Chem. Phys. 66, 1 (1987). 10.1002/9780470142929.ch1
11. D. Mcarthur, E. Hahn, and R. Walstedt, Phys. Rev. 188, 609 (1969). 10.1103/PhysRev.188.609
12. M. Levitt, D. Suter, and R. R. Ernst, J. Chem. Phys. 84, 4243 (1986). 10.1063/1.450046
13. D. Suter and R. R. Ernst, Phys. Rev. B 32, 5608 (1985). 10.1103/PhysRevB.32.5608
14. C. Tang and J. S. Waugh, Phys. Rev. B 45, 748 (1992). 10.1103/PhysRevB.45.748
15. M. Ernst, A. Verhoeven, and B. H. Meier, J. Magn. Reson. 130, 176 (1998). 10.1006/jmre.1997.1311
16. D. Sakellariou, P. Hodgkinson, and L. Emsley, Chem. Phys. Lett. 293, 110 (1998). 10.1016/S0009-2614(98)00725-8
17. V. E. Zorin, S. P. Brown, and P. Hodgkinson, J. Chem. Phys. 125, 144508 (2006). 10.1063/1.2357602
18. M. Aluas, C. Tripon, J. M. Griffin, X. Filip, V. Ladizhansky, R. G. Griffin, S. P. Brown, and C. Filip, J. Magn. Reson. 199, 173 (2009). 10.1016/j.jmr.2009.04.013
19. J. P. Bradley, C. Tripon, C. Filip, and S. P. Brown, Phys. Chem. Chem. Phys. 11, 6941 (2009). 10.1039/b906400a
20. H. Takahashi, H. Akutsu, and T. Fujiwara, J. Chem. Phys. 129, 154504 (2008). 10.1063/1.2993170
21. R. Bruschweiler and R. R. Ernst, J. Magn. Reson. 124, 122 (1997). 10.1006/jmre.1996.1002
22. H. J. Hogben, P. J. Hore, and I. Kuprov, J. Chem. Phys. 132, 174101 (2010). 10.1063/1.3398146
23. I. Kuprov, J. Magn. Reson. 195, 45 (2008). 10.1016/j.jmr.2008.08.008
24. I. Kuprov, N. Wagner-Rundell, and P. J. Hore, J. Magn. Reson. 189, 241 (2007). 10.1016/j.jmr.2007.09.014
25. R. R. P. Senthamarai, I. Kuprov, and K. Pervushin, J. Magn. Reson. 203, 129 (2010). 10.1016/j.jmr.2009.12.008
26. M. C. Butler, J.-N. Dumez, and L. Emsley, Chem. Phys. Lett. 477, 377 (2009). 10.1016/j.cplett.2009.07.017
27. J.-N. Dumez, M. C. Butler, E. Salager, B. Elena-Herrmann, and L. Emsley, Phys. Chem. Chem. Phys. 12, 9172 (2010). 10.1039/c0cp00050g
28. V. E. Zorin, M. Ernst, S. P. Brown, and P. Hodgkinson, J. Magn. Reson. 192, 183 (2008). 10.1016/j.jmr.2008.02.012
29. P. Hodgkinson, D. Sakellariou, and L. Emsley, Chem. Phys. Lett. 326, 515 (2000). 10.1016/S0009-2614(00)00801-0
30. H. De Raedt and K. Michielsen, in Handbook of Theoretical and Computational Nanotechnology, edited by M. Rieth and W. Schommers (American Scientific Publishers, 2006).
31. W. X. Zhang, N. Konstantinidis, K. A. Al-Hassanieh, and V. V. Dobrovitski, J. Phys.: Condens. Matter 19, 083202 (2007). 10.1088/0953-8984/19/ 8/083202
32. M. Suzuki, S. Miyashita, and A. Kuroda, Prog. Theor. Phys. 58, 1377 (1977). 10.1143/PTP.58.1377
33. M. Eden, Y. Lee, and M. Levitt, J. Magn. Reson. A 120, 56 (1996). 10.1006/jmra.1996.0099
34. M. Helmle, Y. Lee, P. X. Feng, T. Karlsson, J. Lugtenburg, H. de Groot, and M. Levitt, J. Magn. Reson. 140, 379 (1999). 10.1006/jmre.1999.1843
35. M. Hohwy, H. Bildsoe, H. Jakobsen, and N. Nielsen, J. Magn. Reson. 136, 6 (1999). 10.1006/jmre.1998.1593
36. O. W. Sorensen, Prog. Nucl. Magn. Reson. Spectrosc. 21 503 (1989). 10.1016/0079-6565(89)80006-8
37. M. Eden, Concepts Magn. Reson. 18A, 24 (2003). 10.1002/cmr.a.10064
38. The name is chosen in reference to the cog-wheel model of Ref..
39. M. Munowitz, A. Pines, and M. Mehring, J. Chem. Phys. 86, 3172 (1987). 10.1063/1.452028
40. See supplementary information of Ref..
41. B. H. Meier, Adv. Magn. Opt. Reson. 18, 1 (1994).
42. An illustrative code implementing this method is available upon request to the authors.