Command DipoleOp

Comand format

DipoleOp

This command computes the result of the dipole operator operating on a molecular orbital. The current code assume that the initial (unionized) state does not have spatial degeneracy, e.g. that it does not have an E or T symmetry.

Data records used

• DipOpForm, This record contains the formula for constructing the dipole operator. This is usually created using the command GenFormPhIon although it can be constructed by hand.

Examples of use

• test15