This function will rotate a a 2nd rank spherical tensor using reduced Wigner rotations.
example:
Chemical shift anisotropy is often described by a 2nd rank spherical tensor in the Principal Axis System(PAS):
R(2,m)(PAS)=sqrt(3/2)*aniso*[-sqrt(6)*eta/6 0 1 0 -sqrt(6)*eta/6]
This tensor will be described in the laboratory frame (LAB) by applying some wigner rotations, e.g.
R(2,0)(LAB)=R(2,m)(PAS)*dEuler(a1,b1,g1)*dEuler(a2,b2,g2)
The above could represent the following rotations
PAS->(a1,b1,g1)->MOL->(a2,b2,3b)->LAB
going from PAS coordinate system to LAB coordinate system via a MOL coordinate system.
source: Multidimensional Solid-State NMR and Polymers. Schmidt-Rohr & spiess. Academic press 1994 |