Command GenFormPhIon

Comand format

GenFormPhIon

This command computes the dipole operator formulas and energy experssions for photoionization

Data records used

• OrbOcc, orbital group occupations of the target state.
• ScatContSym, IR of the continuum orbital.
• ScatSym, IR of the total scattering state.
• SpinDeg, spin degeracy of the total scattering state.
• TargSym, IR of the target state.
• TargSpinDeg, the spin degeneracy of the target state.
• InitSym, IR of the initial state.
• InitSpinDeg, the spin degeneracy of the initial state.
• OrbOccInit, orbital group occupations of the initial state.

Data records created

• EngForm, contains the expression for the interaction potential.
• DirProdOvlp, contains the matrix that transforms the direct product function into the symmetrized functions.
• DipOpForm, contains the information needed to construct the correct dipole matrix elements.

Examples of use

• test15