Molecule Types Symmetric Tops <Prev Next>

Symmetric Top Nucleus

Note that the current implementation only handles nuclei on the top axis. Handling of off-axis equivalent nuclei is planned for a future release.


Spin Nuclear spin
AsNext Nucleus is equivalent to following nucleus; This should be false, as equivalent nuclei are not implemented.
MaxDJ Maximum ΔJ to include to consider in evaluating matrix elements for this nucleus. Default is negative, which includes all possible matrix elements, but setting this to zero (or possibly 1) can give significantly faster calculations but may be less accurate, particularly for low J.


eQq Qudrupole Coupling Constant
eQq2 Extra Qudrupole Coupling Constant for degenerate states; This is defined by analogy with eQq2 in linear molecules, and gives the same matrix elements within K = ±1 states as in Λ = ±1 states for linear molecules.
Czz Component along symmetry axis of Nuclear Spin - Rotation interaction.
Cperp Average of components perpendicular to symmetry axis of Nuclear Spin - Rotation interaction.