I study non-covalent interactions, so I would like to calculate the analysis of SAPT0 for the interaction between the complex and iodoperfluorobenzene.
Due to the fact that I have heavy atoms Pd (II), Pt (II), I would like to use the relativistic ZORA approximation, but I can not find the information. Can i use ZORA in psi4?
And the second question, is it correct to use the jun-cc-pvdz basis for light atoms (H, C, S, N, O) when calculating the energy of SAPT0? and for heavy (Pd (II), Pt (II), I) def2-tzvp?
Thank you for your attention.