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Dipolar cross-relaxation in a two-spin system

Ilya Kuprov
Organization: University of Oxford
Department: Physical and Theoretical Chemistry Laboratory
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This is a simple program for calculation of diamagnetic dipolar relaxation and cross- relaxation rates between user-specified nuclear spin orders in a two-spin system. The internuclear distance is assumed to be fixed (rigid molecule). The calculation uses group theoretical properties of the dipolar interaction Hamiltonian, expanding it into a sum of irreducible tensor operators, which are rotated using Wigner matrices. The Wigner matrix elements are then autocorrelated in the Bloch-Redfield-Wangsness theory treatment.

*Science > Physics > Spectroscopy

NMR, relaxation, spectroscopy
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Dipolar cross-relaxation 7.0.nb (14.4 KB) - Mathematica Notebook