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Grid-free powder averages: On the applications of the Fokker–Planck equation to solid state NMR.
- Source :
-
Journal of Magnetic Resonance . Oct2013, Vol. 235, p121-129. 9p. - Publication Year :
- 2013
-
Abstract
- Highlights: [•] Fokker–Planck equations can be solved directly for powder-average NMR spectra. [•] Hamiltonian is time-independent and spherical quadrature grids are avoided completely. [•] The proposed formalism contains Floquet theory as a special case. [•] Large matrices are handled with state space restriction and tensor train techniques. [•] Low correlation order basis sets appear to produce accurate answers for powders. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 10907807
- Volume :
- 235
- Database :
- Academic Search Index
- Journal :
- Journal of Magnetic Resonance
- Publication Type :
- Academic Journal
- Accession number :
- 90173155
- Full Text :
- https://doi.org/10.1016/j.jmr.2013.07.011