I would like to calculate the excitation energy of first triplet state using eom-cc2 and eom-cc3. I want to ask 3 questions about these methods implemented on psi4
- As I know, the eom-cc2 haen’t yet support for reference uhf so eom-cc2 can not calculate the first triplet state. Is that true or I miss something ?
- I try to set up the spin multiplicity triplet and using cc2, is that the first triplet excited state (the ground state of molecules are singlet)
- eom-cc3 supports the excited triplet state but only one last state calculated, so with the first singlet and triplet, the number of roots is too low to be accurate?