I would like to

- Do a standard SCF.
- Get the core Hamiltonian from the wfn object and modify it.
- Do a SCF with the modified core Hamiltonian.

Just as an example, I was hoping the following would return a different energy, but it doesn’t. Still, you see where I’m going:

h2 = psi4.geometry("""

0 1

H

H 1 0.78

symmetry c1

“”")

e, wf = psi4.energy(‘scf’, return_wfn=True)

m=np.asarray(wf.H())

m[:,:]*=0.5

psi4.energy(‘scf’)

It seems psi4.energy() computes its integrals anew. Is there any way around that?