|Molecule Types Symmetric Tops||<Prev Next>|
|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.|