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Grid-free powder averages: On the applications of the Fokker–Planck equation to solid state NMR.

Authors :
Edwards, Luke J.
Savostyanov, D.V.
Nevzorov, A.A.
Concistrè, M.
Pileio, G.
Kuprov, Ilya
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