Perturbations
Perturbations describe an interaction
between two states. To add
a perturbation, right-click on the manifold in which the perturbation
is required, and select "Add new..."). The state(s) involved must also
be specified; right click
on the perturbation and select Rename
to bring up a dialog box to select the states involved. There can be
several
perturbations acting between any pair of states if required. It can
also be useful to have a perturbation acting within a particular state,
as this can be used to add terms to the Hamiltonian that are not part
of the standard Hamiltonian for the molecule, such as higher powers of J in centrifugal distortion.
These settings are common
to all perturbations; more specific settings are included in the
sections for linear, symmetric, asymmetric and vibrating molecules.
Settings
Nucleus |
Index, starting from 1, of nuclear spin involved in
perturbation; 0 (default) for normal case where the perturbation does
not involve a nuclear spin. |
SymSelect |
Symmetry select |
ScalePrev |
Scale factor with respect to preceding perturbation |
Parameters
Value |
Size of perturbation. |