Simulation of many-spin system dynamics via sparse matrix methodology

Dumont, Randall S.; Jain, Shashi; Bain, Alex
April 1997
Journal of Chemical Physics;4/8/1997, Vol. 106 Issue 14, p5928
Academic Journal
Analyzes the application of a sparse-matrix-based numerical method to simulate NMR spectra of many-spin systems, including the effects of chemical exchange and relaxation. Scaling of the association computational demands; Comparison with the conventional Householder-based methodology; Numerical computation of isomerization systems.


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