|Molecule Types Linear Molecules||<Prev Next>|
This object is used to describe the (magnetic)
interactions between a pair of nuclei, and one of these objects is
required for each pair of nuclei that interact. Note that this is
only partly implemented at the moment, and currently requires an I12 = I1 + I2 style coupling
scheme to be used, requiring AsNext
to be set to true for the first nucleus. (For molecules with a
centre of symmetry, this limits the current implementation to
interactions between equivalent nuclei.
Note that there are multiple definitions of these
terms in the literature. Various different symbols for the scalar
interaction are in use, though the numerical values are the same.
The definition of the dipole - dipole terms are more varied; the
definition used here is as used in H. S. P. Müller and M. C.
L. Gerry, J Chem. Phys. 103 577 (1995) doi:10.1063/1.470092 It differs by a factor of
2 from D used for
|J||Scalar nuclear spin - nuclear spin interaction, I1.I2.|
|S||Dipolar nuclear spin - nuclear spin interaction|