Dear Sirs,
I wonder if it is possible to export natural orbitals to the PsiAPI python interface to compute one- and two-electron integrals, as it is routinely done, for instance, with HF and DFT molecular orbitals. Is there a way to specify these orbitals to be exported as psi4 objects to the Psi4’s python interface?
Thanks for your time.
Yours faithfully,
Giorgio Visentin