Methods available to calculate oscillator strength in psi4?

Dear all,

Can someone give me a summary of available methods which are capable to calculate oscillator strengths of excited states in Psi4?

  1. I know EOM-CC is there;
  2. I saw ADC(2) can be used to calculate energy of excited state. Is it possible for oscillator strength?
  3. How about TDHF/TDDFT in Psi4? Could not find any examples in Tests files.

Thank you very much.

Psi4 is somewhat lacking in excited state methods.

  • You’ve correctly identified EOM-CC as your best bet
  • I have no evidence that ADC(2) can produce a transition dipole or oscillator strength
  • We have concrete plans for TDHF/TDDFT but nothing that will help you right now
  • No CIS either
  • Bright spot in this depressing list– all the CI and CASSCF/RASSCF methods (last two items of can compute transition dipoles. And with transition dipoles, transition energy, and some arithmetic (, you can get oscillator strengths

I’m sorry I can’t offer a better selection.