%0 Journal Article %J Journal of Magnetic Resonance %D 2004 %T Rational reduction of periodic propagators for off-period observations %A Blanton, W. B. %A Logan, J. W. %A Pines, A. %K simulation %X

Many common solid-state nuclear magnetic resonance problems take advantage of the periodicity of the underlying Hamiltonian to simplify the computation of an observation. Most of the time-domain methods used, however, require the time step between observations to be some integer or reciprocal-integer multiple of the period, thereby restricting the observation bandwidth. Calculations of off-period observations are usually reduced to brute force direct methods resulting in many demanding matrix multiplications. For large spin systems, the matrix multiplication becomes the limiting step. A simple method that can dramatically reduce the number of matrix multiplications required to calculate the time evolution when the observation time step is some rational fraction of the period of the Hamiltonian is presented. The algorithm implements two different optimization routines. One uses pattern matching and additional memory storage, while the other recursively generates the propagators via time shifting. The net result is a significant speed improvement for some types of time-domain calculations. (C) 2003 Published by Elsevier Inc.

%B Journal of Magnetic Resonance %V 166 %P 174-181 %8 Feb %@ 1090-7807 %G English %U ://WOS:000188469400005 %N 2 %M WOS:000188469400005 %! Rational reduction of periodic propagators for off-period observations %R Doi 10.1016/J.Jmr.2003.10.002 %0 Journal Article %J Chemical Physics Letters %D 2002 %T Creating isotropic dipolar spectra for a pair of dipole coupled spins in high-field %A Walls, J. D. %A Blanton, W. B. %A Havlin, R. H. %A Pines, A. %K angle %X

In the absence of a strong magnetic field, the dipolar interaction between two nuclear spins is independent of orientation leading to sharp lines. However, in high magnetic fields the Zeeman interaction breaks the symmetry of space and spin producing an anisotropic dipolar spectra. In the following Letter, a method that yields isotropic dipolar spectra for a pair of dipole-coupled spins is presented. This is accomplished through a suitable choice of coherence pathways and average Hamiltonians. We present a theoretical explanation as well as an experimental verification for this novel methodology. (C) 2002 Elsevier Science B.V. All rights reserved.

%B Chemical Physics Letters %V 363 %P 372-380 %8 Sep 9 %@ 0009-2614 %G English %U ://WOS:000178090000027 %N 3-4 %M WOS:000178090000027 %! Creating isotropic dipolar spectra for a pair of dipole coupled spins in high-field %R Doi 10.1016/S0009-2614(02)01188-0